9-(37-carbazol-9-yl-21,40-dioxa-27,34-dithia-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15,17,19,22(48),23,25,28,32,35,37,39(47),41,43,45-henicosaen-24-yl)carbazole;9-(37-carbazol-9-yl-27,34-dioxa-21,40-dithia-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15,17,19,22,24,26(48),28,32,35(47),36,38,41,43,45-henicosaen-24-yl)carbazole;27,34-dioxa-21,40-dithia-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15,17,19,22,24,26(48),28,32,35(47),36,38,41,43,45-henicosaene;21,40-diphenyl-27,34-dithia-21,40-diaza-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15,17,19,22(48),23,25,28,32,35,37,39(47),41,43,45-henicosaene;18-N,18-N,43-N,43-N,21,40-hexakis-phenyl-27,34-dithia-21,40-diaza-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15(20),16,18,22(48),23,25,28,32,35,37,39(47),41(46),42,44-henicosaene-18,43-diamine;18-N,18-N,43-N,43-N-tetraphenyl-21,40-dioxa-27,34-dithia-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15(20),16,18,22(48),23,25,28,32,35,37,39(47),41(46),42,44-henicosaene-18,43-diamine;24-N,24-N,37-N,37-N-tetraphenyl-21,40-dioxa-27,34-dithia-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15,17,19,22(48),23,25,28,32,35,37,39(47),41,43,45-henicosaene-24,37-diamine;24-N,24-N,37-N,37-N-tetraphenyl-27,34-dioxa-21,40-dithia-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15,17,19,22,24,26(48),28,32,35(47),36,38,41,43,45-henicosaene-24,37-diamine

C504H296B16N16O12S16 — CID 163614956

IUPAC9-(37-carbazol-9-yl-21,40-dioxa-27,34-dithia-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15,17,19,22(48),23,25,28,32,35,37,39(47),41,43,45-henicosaen-24-yl)carbazole;9-(37-carbazol-9-yl-27,34-dioxa-21,40-dithia-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15,17,19,22,24,26(48),28,32,35(47),36,38,41,43,45-henicosaen-24-yl)carbazole;27,34-dioxa-21,40-dithia-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15,17,19,22,24,26(48),28,32,35(47),36,38,41,43,45-henicosaene;21,40-diphenyl-27,34-dithia-21,40-diaza-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15,17,19,22(48),23,25,28,32,35,37,39(47),41,43,45-henicosaene;18-N,18-N,43-N,43-N,21,40-hexakis-phenyl-27,34-dithia-21,40-diaza-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15(20),16,18,22(48),23,25,28,32,35,37,39(47),41(46),42,44-henicosaene-18,43-diamine;18-N,18-N,43-N,43-N-tetraphenyl-21,40-dioxa-27,34-dithia-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15(20),16,18,22(48),23,25,28,32,35,37,39(47),41(46),42,44-henicosaene-18,43-diamine;24-N,24-N,37-N,37-N-tetraphenyl-21,40-dioxa-27,34-dithia-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15,17,19,22(48),23,25,28,32,35,37,39(47),41,43,45-henicosaene-24,37-diamine;24-N,24-N,37-N,37-N-tetraphenyl-27,34-dioxa-21,40-dithia-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15,17,19,22,24,26(48),28,32,35(47),36,38,41,43,45-henicosaene-24,37-diamine
SMILESc1ccc(N(c2ccccc2)c2cc3c4c(c2)Sc2cc5c6cc7c(cc6c6ccccc6c5cc2B4c2ccccc2O3)B2c3ccccc3Oc3cc(N(c4ccccc4)c4ccccc4)cc(c32)S7)cc1.c1ccc(N(c2ccccc2)c2cc3c4c(c2)Sc2ccccc2B4c2cc4c5ccccc5c5cc6c(cc5c4cc2O3)Oc2cc(N(c3ccccc3)c3ccccc3)cc3c2B6c2ccccc2S3)cc1.c1ccc(N(c2ccccc2)c2ccc3c(c2)N(c2ccccc2)c2cccc4c2B3c2cc3c5ccccc5c5cc6c(cc5c3cc2S4)Sc2cccc3c2B6c2ccc(N(c4ccccc4)c4ccccc4)cc2N3c2ccccc2)cc1.c1ccc(N(c2ccccc2)c2ccc3c(c2)Oc2cccc4c2B3c2cc3c5ccccc5c5cc6c(cc5c3cc2S4)Sc2cccc3c2B6c2ccc(N(c4ccccc4)c4ccccc4)cc2O3)cc1.c1ccc(N2c3ccccc3B3c4cc5c6ccccc6c6cc7c(cc6c5cc4Sc4cccc2c43)Sc2cccc3c2B7c2ccccc2N3c2ccccc2)cc1.c1ccc2c(c1)Oc1cc(-n3c4ccccc4c4ccccc43)cc3c1B2c1cc2c4ccccc4c4cc5c(cc4c2cc1S3)Sc1cc(-n2c3ccccc3c3ccccc32)cc2c1B5c1ccccc1O2.c1ccc2c(c1)Sc1cc(-n3c4ccccc4c4ccccc43)cc3c1B2c1cc2c4ccccc4c4cc5c(cc4c2cc1O3)Oc1cc(-n2c3ccccc3c3ccccc32)cc2c1B5c1ccccc1S2.c1ccc2c(c1)Sc1cccc3c1B2c1cc2c4ccccc4c4cc5c(cc4c2cc1O3)Oc1cccc2c1B5c1ccccc1S2
InChIInChI=1S/C78H50B2N4S2.2C66H36B2N2O2S2.3C66H40B2N2O2S2.C54H32B2N2S2.C42H22B2O2S2/c1-7-23-51(24-8-1)81(52-25-9-2-10-26-52)57-41-43-65-71(45-57)83(55-31-15-5-16-32-55)69-37-21-39-73-77(69)79(65)67-47-61-59-35-19-20-36-60(59)62-48-68-76(50-64(62)63(61)49-75(67)85-73)86-74-40-22-38-70-78(74)80(68)66-44-42-58(46-72(66)84(70)56-33-17-6-18-34-56)82(53-27-11-3-12-28-53)54-29-13-4-14-30-54;1-2-16-40-39(15-1)45-33-51-57(71-59-29-37(31-63-65(59)67(51)49-21-7-13-27-61(49)73-63)69-53-23-9-3-17-41(53)42-18-4-10-24-54(42)69)35-47(45)48-36-58-52(34-46(40)48)68-50-22-8-14-28-62(50)74-64-32-38(30-60(72-58)66(64)68)70-55-25-11-5-19-43(55)44-20-6-12-26-56(44)70;1-2-16-40-39(15-1)45-33-51-61(73-63-31-37(29-59-65(63)67(51)49-21-7-13-27-57(49)71-59)69-53-23-9-3-17-41(53)42-18-4-10-24-54(42)69)35-47(45)48-36-62-52(34-46(40)48)68-50-22-8-14-28-58(50)72-60-30-38(32-64(74-62)66(60)68)70-55-25-11-5-19-43(55)44-20-6-12-26-56(44)70;1-5-19-41(20-6-1)69(42-21-7-2-8-22-42)45-33-59-65-63(35-45)73-61-31-17-15-29-53(61)67(65)55-37-49-47-27-13-14-28-48(47)50-38-56-58(40-52(50)51(49)39-57(55)71-59)72-60-34-46(36-64-66(60)68(56)54-30-16-18-32-62(54)74-64)70(43-23-9-3-10-24-43)44-25-11-4-12-26-44;1-5-19-41(20-6-1)69(42-21-7-2-8-22-42)45-33-59-65-63(35-45)73-61-39-51-49(37-55(61)67(65)53-29-15-17-31-57(53)71-59)47-27-13-14-28-48(47)50-38-56-62(40-52(50)51)74-64-36-46(34-60-66(64)68(56)54-30-16-18-32-58(54)72-60)70(43-23-9-3-10-24-43)44-25-11-4-12-26-44;1-5-17-41(18-6-1)69(42-19-7-2-8-20-42)45-31-33-53-59(35-45)71-57-27-15-29-61-65(57)67(53)55-37-49-47-25-13-14-26-48(47)50-38-56-64(40-52(50)51(49)39-63(55)73-61)74-62-30-16-28-58-66(62)68(56)54-34-32-46(36-60(54)72-58)70(43-21-9-3-10-22-43)44-23-11-4-12-24-44;1-3-15-33(16-4-1)57-45-23-11-9-21-41(45)55-43-29-37-35-19-7-8-20-36(35)38-30-44-52(32-40(38)39(37)31-51(43)59-49-27-13-25-47(57)53(49)55)60-50-28-14-26-48-54(50)56(44)42-22-10-12-24-46(42)58(48)34-17-5-2-6-18-34;1-2-10-24-23(9-1)25-19-31-35(45-33-13-7-17-39-41(33)43(31)29-11-3-5-15-37(29)47-39)21-27(25)28-22-36-32(20-26(24)28)44-30-12-4-6-16-38(30)48-40-18-8-14-34(46-36)42(40)44/h1-50H;2*1-36H;3*1-40H;1-32H;1-22H
InChIKeyHJEZWXKKSLCIAO-UHFFFAOYSA-N
MW7454.08 g/mol
LogP105.41
Rot. Bonds32

About 9-(37-carbazol-9-yl-21,40-dioxa-27,34-dithia-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15,17,19,22(48),23,25,28,32,35,37,39(47),41,43,45-henicosaen-24-yl)carbazole;9-(37-carbazol-9-yl-27,34-dioxa-21,40-dithia-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15,17,19,22,24,26(48),28,32,35(47),36,38,41,43,45-henicosaen-24-yl)carbazole;27,34-dioxa-21,40-dithia-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15,17,19,22,24,26(48),28,32,35(47),36,38,41,43,45-henicosaene;21,40-diphenyl-27,34-dithia-21,40-diaza-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15,17,19,22(48),23,25,28,32,35,37,39(47),41,43,45-henicosaene;18-N,18-N,43-N,43-N,21,40-hexakis-phenyl-27,34-dithia-21,40-diaza-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15(20),16,18,22(48),23,25,28,32,35,37,39(47),41(46),42,44-henicosaene-18,43-diamine;18-N,18-N,43-N,43-N-tetraphenyl-21,40-dioxa-27,34-dithia-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15(20),16,18,22(48),23,25,28,32,35,37,39(47),41(46),42,44-henicosaene-18,43-diamine;24-N,24-N,37-N,37-N-tetraphenyl-21,40-dioxa-27,34-dithia-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15,17,19,22(48),23,25,28,32,35,37,39(47),41,43,45-henicosaene-24,37-diamine;24-N,24-N,37-N,37-N-tetraphenyl-27,34-dioxa-21,40-dithia-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15,17,19,22,24,26(48),28,32,35(47),36,38,41,43,45-henicosaene-24,37-diamine

9-(37-carbazol-9-yl-21,40-dioxa-27,34-dithia-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15,17,19,22(48),23,25,28,32,35,37,39(47),41,43,45-henicosaen-24-yl)carbazole;9-(37-carbazol-9-yl-27,34-dioxa-21,40-dithia-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15,17,19,22,24,26(48),28,32,35(47),36,38,41,43,45-henicosaen-24-yl)carbazole;27,34-dioxa-21,40-dithia-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15,17,19,22,24,26(48),28,32,35(47),36,38,41,43,45-henicosaene;21,40-diphenyl-27,34-dithia-21,40-diaza-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15,17,19,22(48),23,25,28,32,35,37,39(47),41,43,45-henicosaene;18-N,18-N,43-N,43-N,21,40-hexakis-phenyl-27,34-dithia-21,40-diaza-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15(20),16,18,22(48),23,25,28,32,35,37,39(47),41(46),42,44-henicosaene-18,43-diamine;18-N,18-N,43-N,43-N-tetraphenyl-21,40-dioxa-27,34-dithia-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15(20),16,18,22(48),23,25,28,32,35,37,39(47),41(46),42,44-henicosaene-18,43-diamine;24-N,24-N,37-N,37-N-tetraphenyl-21,40-dioxa-27,34-dithia-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15,17,19,22(48),23,25,28,32,35,37,39(47),41,43,45-henicosaene-24,37-diamine;24-N,24-N,37-N,37-N-tetraphenyl-27,34-dioxa-21,40-dithia-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15,17,19,22,24,26(48),28,32,35(47),36,38,41,43,45-henicosaene-24,37-diamine (PubChem CID 163614956) has the molecular formula C504H296B16N16O12S16 and a molecular weight of 7454.08 g/mol. Its IUPAC name is 9-(37-carbazol-9-yl-21,40-dioxa-27,34-dithia-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15,17,19,22(48),23,25,28,32,35,37,39(47),41,43,45-henicosaen-24-yl)carbazole;9-(37-carbazol-9-yl-27,34-dioxa-21,40-dithia-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15,17,19,22,24,26(48),28,32,35(47),36,38,41,43,45-henicosaen-24-yl)carbazole;27,34-dioxa-21,40-dithia-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15,17,19,22,24,26(48),28,32,35(47),36,38,41,43,45-henicosaene;21,40-diphenyl-27,34-dithia-21,40-diaza-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15,17,19,22(48),23,25,28,32,35,37,39(47),41,43,45-henicosaene;18-N,18-N,43-N,43-N,21,40-hexakis-phenyl-27,34-dithia-21,40-diaza-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15(20),16,18,22(48),23,25,28,32,35,37,39(47),41(46),42,44-henicosaene-18,43-diamine;18-N,18-N,43-N,43-N-tetraphenyl-21,40-dioxa-27,34-dithia-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15(20),16,18,22(48),23,25,28,32,35,37,39(47),41(46),42,44-henicosaene-18,43-diamine;24-N,24-N,37-N,37-N-tetraphenyl-21,40-dioxa-27,34-dithia-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15,17,19,22(48),23,25,28,32,35,37,39(47),41,43,45-henicosaene-24,37-diamine;24-N,24-N,37-N,37-N-tetraphenyl-27,34-dioxa-21,40-dithia-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15,17,19,22,24,26(48),28,32,35(47),36,38,41,43,45-henicosaene-24,37-diamine.

Molecular Properties

Compound Name9-(37-carbazol-9-yl-21,40-dioxa-27,34-dithia-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15,17,19,22(48),23,25,28,32,35,37,39(47),41,43,45-henicosaen-24-yl)carbazole;9-(37-carbazol-9-yl-27,34-dioxa-21,40-dithia-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15,17,19,22,24,26(48),28,32,35(47),36,38,41,43,45-henicosaen-24-yl)carbazole;27,34-dioxa-21,40-dithia-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15,17,19,22,24,26(48),28,32,35(47),36,38,41,43,45-henicosaene;21,40-diphenyl-27,34-dithia-21,40-diaza-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15,17,19,22(48),23,25,28,32,35,37,39(47),41,43,45-henicosaene;18-N,18-N,43-N,43-N,21,40-hexakis-phenyl-27,34-dithia-21,40-diaza-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15(20),16,18,22(48),23,25,28,32,35,37,39(47),41(46),42,44-henicosaene-18,43-diamine;18-N,18-N,43-N,43-N-tetraphenyl-21,40-dioxa-27,34-dithia-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15(20),16,18,22(48),23,25,28,32,35,37,39(47),41(46),42,44-henicosaene-18,43-diamine;24-N,24-N,37-N,37-N-tetraphenyl-21,40-dioxa-27,34-dithia-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15,17,19,22(48),23,25,28,32,35,37,39(47),41,43,45-henicosaene-24,37-diamine;24-N,24-N,37-N,37-N-tetraphenyl-27,34-dioxa-21,40-dithia-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15,17,19,22,24,26(48),28,32,35(47),36,38,41,43,45-henicosaene-24,37-diamine
PubChem CID163614956
Molecular FormulaC504H296B16N16O12S16
Molecular Weight7454.08 g/mol
Exact Mass7450.01
IUPAC Name9-(37-carbazol-9-yl-21,40-dioxa-27,34-dithia-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15,17,19,22(48),23,25,28,32,35,37,39(47),41,43,45-henicosaen-24-yl)carbazole;9-(37-carbazol-9-yl-27,34-dioxa-21,40-dithia-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15,17,19,22,24,26(48),28,32,35(47),36,38,41,43,45-henicosaen-24-yl)carbazole;27,34-dioxa-21,40-dithia-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15,17,19,22,24,26(48),28,32,35(47),36,38,41,43,45-henicosaene;21,40-diphenyl-27,34-dithia-21,40-diaza-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15,17,19,22(48),23,25,28,32,35,37,39(47),41,43,45-henicosaene;18-N,18-N,43-N,43-N,21,40-hexakis-phenyl-27,34-dithia-21,40-diaza-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15(20),16,18,22(48),23,25,28,32,35,37,39(47),41(46),42,44-henicosaene-18,43-diamine;18-N,18-N,43-N,43-N-tetraphenyl-21,40-dioxa-27,34-dithia-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15(20),16,18,22(48),23,25,28,32,35,37,39(47),41(46),42,44-henicosaene-18,43-diamine;24-N,24-N,37-N,37-N-tetraphenyl-21,40-dioxa-27,34-dithia-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15,17,19,22(48),23,25,28,32,35,37,39(47),41,43,45-henicosaene-24,37-diamine;24-N,24-N,37-N,37-N-tetraphenyl-27,34-dioxa-21,40-dithia-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15,17,19,22,24,26(48),28,32,35(47),36,38,41,43,45-henicosaene-24,37-diamine
SMILESc1ccc(N(c2ccccc2)c2cc3c4c(c2)Sc2cc5c6cc7c(cc6c6ccccc6c5cc2B4c2ccccc2O3)B2c3ccccc3Oc3cc(N(c4ccccc4)c4ccccc4)cc(c32)S7)cc1.c1ccc(N(c2ccccc2)c2cc3c4c(c2)Sc2ccccc2B4c2cc4c5ccccc5c5cc6c(cc5c4cc2O3)Oc2cc(N(c3ccccc3)c3ccccc3)cc3c2B6c2ccccc2S3)cc1.c1ccc(N(c2ccccc2)c2ccc3c(c2)N(c2ccccc2)c2cccc4c2B3c2cc3c5ccccc5c5cc6c(cc5c3cc2S4)Sc2cccc3c2B6c2ccc(N(c4ccccc4)c4ccccc4)cc2N3c2ccccc2)cc1.c1ccc(N(c2ccccc2)c2ccc3c(c2)Oc2cccc4c2B3c2cc3c5ccccc5c5cc6c(cc5c3cc2S4)Sc2cccc3c2B6c2ccc(N(c4ccccc4)c4ccccc4)cc2O3)cc1.c1ccc(N2c3ccccc3B3c4cc5c6ccccc6c6cc7c(cc6c5cc4Sc4cccc2c43)Sc2cccc3c2B7c2ccccc2N3c2ccccc2)cc1.c1ccc2c(c1)Oc1cc(-n3c4ccccc4c4ccccc43)cc3c1B2c1cc2c4ccccc4c4cc5c(cc4c2cc1S3)Sc1cc(-n2c3ccccc3c3ccccc32)cc2c1B5c1ccccc1O2.c1ccc2c(c1)Sc1cc(-n3c4ccccc4c4ccccc43)cc3c1B2c1cc2c4ccccc4c4cc5c(cc4c2cc1O3)Oc1cc(-n2c3ccccc3c3ccccc32)cc2c1B5c1ccccc1S2.c1ccc2c(c1)Sc1cccc3c1B2c1cc2c4ccccc4c4cc5c(cc4c2cc1O3)Oc1cccc2c1B5c1ccccc1S2
InChIInChI=1S/C78H50B2N4S2.2C66H36B2N2O2S2.3C66H40B2N2O2S2.C54H32B2N2S2.C42H22B2O2S2/c1-7-23-51(24-8-1)81(52-25-9-2-10-26-52)57-41-43-65-71(45-57)83(55-31-15-5-16-32-55)69-37-21-39-73-77(69)79(65)67-47-61-59-35-19-20-36-60(59)62-48-68-76(50-64(62)63(61)49-75(67)85-73)86-74-40-22-38-70-78(74)80(68)66-44-42-58(46-72(66)84(70)56-33-17-6-18-34-56)82(53-27-11-3-12-28-53)54-29-13-4-14-30-54;1-2-16-40-39(15-1)45-33-51-57(71-59-29-37(31-63-65(59)67(51)49-21-7-13-27-61(49)73-63)69-53-23-9-3-17-41(53)42-18-4-10-24-54(42)69)35-47(45)48-36-58-52(34-46(40)48)68-50-22-8-14-28-62(50)74-64-32-38(30-60(72-58)66(64)68)70-55-25-11-5-19-43(55)44-20-6-12-26-56(44)70;1-2-16-40-39(15-1)45-33-51-61(73-63-31-37(29-59-65(63)67(51)49-21-7-13-27-57(49)71-59)69-53-23-9-3-17-41(53)42-18-4-10-24-54(42)69)35-47(45)48-36-62-52(34-46(40)48)68-50-22-8-14-28-58(50)72-60-30-38(32-64(74-62)66(60)68)70-55-25-11-5-19-43(55)44-20-6-12-26-56(44)70;1-5-19-41(20-6-1)69(42-21-7-2-8-22-42)45-33-59-65-63(35-45)73-61-31-17-15-29-53(61)67(65)55-37-49-47-27-13-14-28-48(47)50-38-56-58(40-52(50)51(49)39-57(55)71-59)72-60-34-46(36-64-66(60)68(56)54-30-16-18-32-62(54)74-64)70(43-23-9-3-10-24-43)44-25-11-4-12-26-44;1-5-19-41(20-6-1)69(42-21-7-2-8-22-42)45-33-59-65-63(35-45)73-61-39-51-49(37-55(61)67(65)53-29-15-17-31-57(53)71-59)47-27-13-14-28-48(47)50-38-56-62(40-52(50)51)74-64-36-46(34-60-66(64)68(56)54-30-16-18-32-58(54)72-60)70(43-23-9-3-10-24-43)44-25-11-4-12-26-44;1-5-17-41(18-6-1)69(42-19-7-2-8-20-42)45-31-33-53-59(35-45)71-57-27-15-29-61-65(57)67(53)55-37-49-47-25-13-14-26-48(47)50-38-56-64(40-52(50)51(49)39-63(55)73-61)74-62-30-16-28-58-66(62)68(56)54-34-32-46(36-60(54)72-58)70(43-21-9-3-10-22-43)44-23-11-4-12-24-44;1-3-15-33(16-4-1)57-45-23-11-9-21-41(45)55-43-29-37-35-19-7-8-20-36(35)38-30-44-52(32-40(38)39(37)31-51(43)59-49-27-13-25-47(57)53(49)55)60-50-28-14-26-48-54(50)56(44)42-22-10-12-24-46(42)58(48)34-17-5-2-6-18-34;1-2-10-24-23(9-1)25-19-31-35(45-33-13-7-17-39-41(33)43(31)29-11-3-5-15-37(29)47-39)21-27(25)28-22-36-32(20-26(24)28)44-30-12-4-6-16-38(30)48-40-18-8-14-34(46-36)42(40)44/h1-50H;2*1-36H;3*1-40H;1-32H;1-22H
InChIKeyHJEZWXKKSLCIAO-UHFFFAOYSA-N
XLogP105.41
TPSA169.36 Ų
H-Bond Donors
H-Bond Acceptors44
Rotatable Bonds32
Heavy Atoms564
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5007454.08
LogP ≤ 5105.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1044

Analyze 9-(37-carbazol-9-yl-21,40-dioxa-27,34-dithia-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15,17,19,22(48),23,25,28,32,35,37,39(47),41,43,45-henicosaen-24-yl)carbazole;9-(37-carbazol-9-yl-27,34-dioxa-21,40-dithia-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15,17,19,22,24,26(48),28,32,35(47),36,38,41,43,45-henicosaen-24-yl)carbazole;27,34-dioxa-21,40-dithia-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15,17,19,22,24,26(48),28,32,35(47),36,38,41,43,45-henicosaene;21,40-diphenyl-27,34-dithia-21,40-diaza-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15,17,19,22(48),23,25,28,32,35,37,39(47),41,43,45-henicosaene;18-N,18-N,43-N,43-N,21,40-hexakis-phenyl-27,34-dithia-21,40-diaza-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15(20),16,18,22(48),23,25,28,32,35,37,39(47),41(46),42,44-henicosaene-18,43-diamine;18-N,18-N,43-N,43-N-tetraphenyl-21,40-dioxa-27,34-dithia-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15(20),16,18,22(48),23,25,28,32,35,37,39(47),41(46),42,44-henicosaene-18,43-diamine;24-N,24-N,37-N,37-N-tetraphenyl-21,40-dioxa-27,34-dithia-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15,17,19,22(48),23,25,28,32,35,37,39(47),41,43,45-henicosaene-24,37-diamine;24-N,24-N,37-N,37-N-tetraphenyl-27,34-dioxa-21,40-dithia-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15,17,19,22,24,26(48),28,32,35(47),36,38,41,43,45-henicosaene-24,37-diamine with MolForge

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Related Compounds

N,N-diphenyl-5-[2,4,6-tri(propan-2-yl)phenyl]-12,16-dioxa-22-thia-1,5-diboraheptacyclo[15.11.1.02,15.04,13.06,11.021,29.023,28]nonacosa-2,4(13),6(11),7,9,14,17(29),18,20,23,25,27-dodecaen-9-amine;N,N-diphenyl-5-[2,4,6-tri(propan-2-yl)phenyl]-12,16,22-trioxa-1,5-diboraheptacyclo[15.11.1.02,15.04,13.06,11.021,29.023,28]nonacosa-2,4(13),6(11),7,9,14,17,19,21(29),23,25,27-dodecaen-9-amine;N,N,22-triphenyl-5-[2,4,6-tri(propan-2-yl)phenyl]-12,16-dithia-22-aza-1,5-diboraheptacyclo[15.11.1.02,15.04,13.06,11.021,29.023,28]nonacosa-2,4(13),6(11),7,9,14,17,19,21(29),23,25,27-dodecaen-9-amine;N,N,22-triphenyl-5-[2,4,6-tri(propan-2-yl)phenyl]-12-oxa-16-thia-22-aza-1,5-diboraheptacyclo[15.11.1.02,15.04,13.06,11.021,29.023,28]nonacosa-2(15),3,6(11),7,9,13,17,19,21(29),23,25,27-dodecaen-9-amine
CID 165054874
11-carbazol-9-yl-17-(18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaen-9-yl)-14-phenyl-8-oxa-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;17-(18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaen-9-yl)-14-phenyl-8-oxa-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;17-(18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaen-9-yl)-N,N,14-triphenyl-8-oxa-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-11-amine
CID 161305189
18,32-di(carbazol-9-yl)-15,25,35-triphenyl-21,29-dioxa-15,25,35-triaza-1,8-diboraundecacyclo[28.11.1.18,16.02,28.04,26.05,24.07,22.09,14.034,42.036,41.020,43]tritetraconta-2,4(26),5(24),6,9,11,13,16(43),17,19,22,27,30,32,34(42),36,38,40-octadecaene;18-N,18-N,32-N,32-N,15,25,35-heptakis-phenyl-21,29-dioxa-15,25,35-triaza-1,8-diboraundecacyclo[28.11.1.18,16.02,28.04,26.05,24.07,22.09,14.034,42.036,41.020,43]tritetraconta-2,4(26),5(24),6,9,11,13,16(43),17,19,22,27,30,32,34(42),36,38,40-octadecaene-18,32-diamine;23-N,23-N,37-N,37-N,30-pentakis-phenyl-26,34-dioxa-20,30,40-triaza-1,8-diborapentadecacyclo[33.16.1.18,21.19,13.140,47.02,33.04,31.05,29.07,27.014,19.039,52.041,46.020,55.025,54.051,53]pentapentaconta-2,4(31),5(29),6,9(55),10,12,14,16,18,21(54),22,24,27,32,35,37,39(52),41,43,45,47,49,51(53)-tetracosaene-23,37-diamine;30-phenyl-26,34-dioxa-20,30,40-triaza-1,8-diborapentadecacyclo[33.16.1.18,21.19,13.140,47.02,33.04,31.05,29.07,27.014,19.039,52.041,46.020,55.025,54.051,53]pentapentaconta-2,4(31),5(29),6,9(55),10,12,14,16,18,21(54),22,24,27,32,35,37,39(52),41,43,45,47,49,51(53)-tetracosaene
CID 159638078
18-(4,9-diphenylcarbazol-3-yl)-15-N,15-N,25-N,25-N,28-pentakis-phenyl-12-oxa-22-thia-18,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine
CID 164832932
18-N,18-N,43-N,43-N,27,34-hexakis-phenyl-21,40-dithia-27,34-diaza-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15(20),16,18,22,24,26(48),28,32,35(47),36,38,41(46),42,44-henicosaene-18,43-diamine
CID 163509778
15-carbazol-9-yl-N,N,28-triphenyl-12,18,22,36-tetraoxa-28-aza-1,5-diboradecacyclo[21.11.1.15,13.17,33.02,21.04,19.06,11.027,35.029,34.017,37]heptatriaconta-2,4(19),6,8,10,13(37),14,16,20,23,25,27(35),29(34),30,32-pentadecaen-25-amine
CID 161253766
8,30-di(carbazol-9-yl)-11,33-dioxa-5,27-diaza-18,40-diboratridecacyclo[25.17.1.15,19.16,10.128,32.02,26.04,24.012,17.034,39.041,45.018,48.023,47.040,46]octatetraconta-1(44),2,4(24),6(48),7,9,12,14,16,19(47),20,22,25,28(46),29,31,34,36,38,41(45),42-henicosaene;8,30-di(carbazol-9-yl)-11,33-diphenyl-5,11,27,33-tetraza-18,40-diboratridecacyclo[25.17.1.15,19.16,10.128,32.02,26.04,24.012,17.034,39.041,45.018,48.023,47.040,46]octatetraconta-1(44),2,4(24),6(48),7,9,12,14,16,19(47),20,22,25,28(46),29,31,34,36,38,41(45),42-henicosaene;8,30-di(carbazol-9-yl)-11,33-dithia-5,27-diaza-18,40-diboratridecacyclo[25.17.1.15,19.16,10.128,32.02,26.04,24.012,17.034,39.041,45.018,48.023,47.040,46]octatetraconta-1(44),2,4(24),6(48),7,9,12,14,16,19(47),20,22,25,28(46),29,31,34,36,38,41(45),42-henicosaene;13,14,15,16,34,35,36,37-octadeuterio-11-(2,3,4,5,6-pentadeuteriophenyl)-39-(2,3,4,5-tetradeuteriophenyl)-1,5,11,39-tetraza-18,32-diboratridecacyclo[25.17.1.15,19.16,10.132,40.02,26.04,24.012,17.031,45.033,38.018,48.023,47.044,46]octatetraconta-2,4(24),6(48),7,9,12,14,16,19(47),20,22,25,27,29,31(45),33,35,37,40,42,44(46)-henicosaene;8-N,8-N,30-N,30-N-tetraphenyl-11,33-dithia-5,27-diaza-18,40-diboratridecacyclo[25.17.1.15,19.16,10.128,32.02,26.04,24.012,17.034,39.041,45.018,48.023,47.040,46]octatetraconta-1(44),2,4(24),6(48),7,9,12,14,16,19(47),20,22,25,28(46),29,31,34,36,38,41(45),42-henicosaene-8,30-diamine
CID 158221751
15-N,12-bis(2-carbazol-9-ylphenyl)-15-N,25-N,25-N,18,22,28-hexakis-phenyl-12,18,22,28-tetraza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13,15,17(36),20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;25-N,28-bis(2-carbazol-9-ylphenyl)-15-N,15-N,25-N,18,22-pentakis-phenyl-12-oxa-18,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13,15,17(36),20,23(35),24,26,29,31,33-pentadecaene-15,25-diamine;25-N,28-bis(2-carbazol-9-ylphenyl)-15-N,15-N,25-N,22-tetraphenyl-12-oxa-18-thia-22,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23(35),24,26,29,31,33-pentadecaene-15,25-diamine
CID 164969550
41,48-diphenyl-21-oxa-15,35,54-trithia-41,48-diaza-1,8,28-triborahexadecacyclo[47.11.1.18,16.128,36.02,47.04,45.05,24.07,22.09,14.025,44.027,42.029,34.053,61.055,60.020,63.040,62]trihexaconta-2,4,6,9,11,13,16,18,20(63),22,24,26,29,31,33,36,38,40(62),42,44,46,49(61),50,52,55,57,59-heptacosaene
CID 163509775
9-N,9-N,19-N,19-N,22-pentakis-phenyl-5-[2,4,6-tri(propan-2-yl)phenyl]-16-oxa-12-thia-22-aza-1,5-diboraheptacyclo[15.11.1.02,15.04,13.06,11.021,29.023,28]nonacosa-2,4(13),6(11),7,9,14,17,19,21(29),23,25,27-dodecaene-9,19-diamine
CID 164807372
11-N,11-N,31-N,31-N,51-N,51-N,14,34,54-nonakis-phenyl-8,28,48-trioxa-14,34,54-triaza-1,21,41-triborahexadecacyclo[47.11.1.19,13.129,33.02,47.04,45.05,24.07,22.015,20.025,44.027,42.035,40.053,61.055,60.021,63.041,62]trihexaconta-2,4,6,9,11,13(63),15,17,19,22,24,26,29,31,33(62),35,37,39,42,44,46,49,51,53(61),55,57,59-heptacosaene-11,31,51-triamine
CID 163580524
22-[2-(4-tert-butylphenyl)phenyl]-15-N,15-N,25-N,25-N,12,28-hexakis-phenyl-18-thia-12,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;22-(2-carbazol-9-yl-6-phenylphenyl)-15-N,25-N,25-N,28-tetraphenyl-15-N,12-bis(2-phenylphenyl)-18-thia-12,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;22-(2,6-diphenylphenyl)-15-N,15-N,25-N,25-N,12,28-hexakis-phenyl-18-thia-12,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;18-(2,6-diphenylphenyl)-15-N,15-N,25-N,25-N,28-pentakis-phenyl-12-oxa-22-thia-18,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;15-N,15-N,25-N,25-N,28-pentakis-phenyl-22-(2-phenylphenyl)-12,18-dithia-22,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;15-N,15-N,25-N,25-N,28-pentakis-phenyl-22-(2-phenylphenyl)-12-oxa-18-thia-22,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine
CID 167665413

Frequently Asked Questions

What is the IUPAC name of 9-(37-carbazol-9-yl-21,40-dioxa-27,34-dithia-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15,17,19,22(48),23,25,28,32,35,37,39(47),41,43,45-henicosaen-24-yl)carbazole;9-(37-carbazol-9-yl-27,34-dioxa-21,40-dithia-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15,17,19,22,24,26(48),28,32,35(47),36,38,41,43,45-henicosaen-24-yl)carbazole;27,34-dioxa-21,40-dithia-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15,17,19,22,24,26(48),28,32,35(47),36,38,41,43,45-henicosaene;21,40-diphenyl-27,34-dithia-21,40-diaza-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15,17,19,22(48),23,25,28,32,35,37,39(47),41,43,45-henicosaene;18-N,18-N,43-N,43-N,21,40-hexakis-phenyl-27,34-dithia-21,40-diaza-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15(20),16,18,22(48),23,25,28,32,35,37,39(47),41(46),42,44-henicosaene-18,43-diamine;18-N,18-N,43-N,43-N-tetraphenyl-21,40-dioxa-27,34-dithia-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15(20),16,18,22(48),23,25,28,32,35,37,39(47),41(46),42,44-henicosaene-18,43-diamine;24-N,24-N,37-N,37-N-tetraphenyl-21,40-dioxa-27,34-dithia-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15,17,19,22(48),23,25,28,32,35,37,39(47),41,43,45-henicosaene-24,37-diamine;24-N,24-N,37-N,37-N-tetraphenyl-27,34-dioxa-21,40-dithia-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15,17,19,22,24,26(48),28,32,35(47),36,38,41,43,45-henicosaene-24,37-diamine?
The IUPAC name of 9-(37-carbazol-9-yl-21,40-dioxa-27,34-dithia-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15,17,19,22(48),23,25,28,32,35,37,39(47),41,43,45-henicosaen-24-yl)carbazole;9-(37-carbazol-9-yl-27,34-dioxa-21,40-dithia-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15,17,19,22,24,26(48),28,32,35(47),36,38,41,43,45-henicosaen-24-yl)carbazole;27,34-dioxa-21,40-dithia-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15,17,19,22,24,26(48),28,32,35(47),36,38,41,43,45-henicosaene;21,40-diphenyl-27,34-dithia-21,40-diaza-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15,17,19,22(48),23,25,28,32,35,37,39(47),41,43,45-henicosaene;18-N,18-N,43-N,43-N,21,40-hexakis-phenyl-27,34-dithia-21,40-diaza-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15(20),16,18,22(48),23,25,28,32,35,37,39(47),41(46),42,44-henicosaene-18,43-diamine;18-N,18-N,43-N,43-N-tetraphenyl-21,40-dioxa-27,34-dithia-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15(20),16,18,22(48),23,25,28,32,35,37,39(47),41(46),42,44-henicosaene-18,43-diamine;24-N,24-N,37-N,37-N-tetraphenyl-21,40-dioxa-27,34-dithia-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15,17,19,22(48),23,25,28,32,35,37,39(47),41,43,45-henicosaene-24,37-diamine;24-N,24-N,37-N,37-N-tetraphenyl-27,34-dioxa-21,40-dithia-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15,17,19,22,24,26(48),28,32,35(47),36,38,41,43,45-henicosaene-24,37-diamine (CID 163614956) is 9-(37-carbazol-9-yl-21,40-dioxa-27,34-dithia-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15,17,19,22(48),23,25,28,32,35,37,39(47),41,43,45-henicosaen-24-yl)carbazole;9-(37-carbazol-9-yl-27,34-dioxa-21,40-dithia-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15,17,19,22,24,26(48),28,32,35(47),36,38,41,43,45-henicosaen-24-yl)carbazole;27,34-dioxa-21,40-dithia-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15,17,19,22,24,26(48),28,32,35(47),36,38,41,43,45-henicosaene;21,40-diphenyl-27,34-dithia-21,40-diaza-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15,17,19,22(48),23,25,28,32,35,37,39(47),41,43,45-henicosaene;18-N,18-N,43-N,43-N,21,40-hexakis-phenyl-27,34-dithia-21,40-diaza-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15(20),16,18,22(48),23,25,28,32,35,37,39(47),41(46),42,44-henicosaene-18,43-diamine;18-N,18-N,43-N,43-N-tetraphenyl-21,40-dioxa-27,34-dithia-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15(20),16,18,22(48),23,25,28,32,35,37,39(47),41(46),42,44-henicosaene-18,43-diamine;24-N,24-N,37-N,37-N-tetraphenyl-21,40-dioxa-27,34-dithia-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15,17,19,22(48),23,25,28,32,35,37,39(47),41,43,45-henicosaene-24,37-diamine;24-N,24-N,37-N,37-N-tetraphenyl-27,34-dioxa-21,40-dithia-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15,17,19,22,24,26(48),28,32,35(47),36,38,41,43,45-henicosaene-24,37-diamine.
What is the SMILES notation for 9-(37-carbazol-9-yl-21,40-dioxa-27,34-dithia-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15,17,19,22(48),23,25,28,32,35,37,39(47),41,43,45-henicosaen-24-yl)carbazole;9-(37-carbazol-9-yl-27,34-dioxa-21,40-dithia-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15,17,19,22,24,26(48),28,32,35(47),36,38,41,43,45-henicosaen-24-yl)carbazole;27,34-dioxa-21,40-dithia-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15,17,19,22,24,26(48),28,32,35(47),36,38,41,43,45-henicosaene;21,40-diphenyl-27,34-dithia-21,40-diaza-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15,17,19,22(48),23,25,28,32,35,37,39(47),41,43,45-henicosaene;18-N,18-N,43-N,43-N,21,40-hexakis-phenyl-27,34-dithia-21,40-diaza-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15(20),16,18,22(48),23,25,28,32,35,37,39(47),41(46),42,44-henicosaene-18,43-diamine;18-N,18-N,43-N,43-N-tetraphenyl-21,40-dioxa-27,34-dithia-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15(20),16,18,22(48),23,25,28,32,35,37,39(47),41(46),42,44-henicosaene-18,43-diamine;24-N,24-N,37-N,37-N-tetraphenyl-21,40-dioxa-27,34-dithia-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15,17,19,22(48),23,25,28,32,35,37,39(47),41,43,45-henicosaene-24,37-diamine;24-N,24-N,37-N,37-N-tetraphenyl-27,34-dioxa-21,40-dithia-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15,17,19,22,24,26(48),28,32,35(47),36,38,41,43,45-henicosaene-24,37-diamine?
The canonical SMILES for 9-(37-carbazol-9-yl-21,40-dioxa-27,34-dithia-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15,17,19,22(48),23,25,28,32,35,37,39(47),41,43,45-henicosaen-24-yl)carbazole;9-(37-carbazol-9-yl-27,34-dioxa-21,40-dithia-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15,17,19,22,24,26(48),28,32,35(47),36,38,41,43,45-henicosaen-24-yl)carbazole;27,34-dioxa-21,40-dithia-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15,17,19,22,24,26(48),28,32,35(47),36,38,41,43,45-henicosaene;21,40-diphenyl-27,34-dithia-21,40-diaza-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15,17,19,22(48),23,25,28,32,35,37,39(47),41,43,45-henicosaene;18-N,18-N,43-N,43-N,21,40-hexakis-phenyl-27,34-dithia-21,40-diaza-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15(20),16,18,22(48),23,25,28,32,35,37,39(47),41(46),42,44-henicosaene-18,43-diamine;18-N,18-N,43-N,43-N-tetraphenyl-21,40-dioxa-27,34-dithia-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15(20),16,18,22(48),23,25,28,32,35,37,39(47),41(46),42,44-henicosaene-18,43-diamine;24-N,24-N,37-N,37-N-tetraphenyl-21,40-dioxa-27,34-dithia-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15,17,19,22(48),23,25,28,32,35,37,39(47),41,43,45-henicosaene-24,37-diamine;24-N,24-N,37-N,37-N-tetraphenyl-27,34-dioxa-21,40-dithia-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15,17,19,22,24,26(48),28,32,35(47),36,38,41,43,45-henicosaene-24,37-diamine is c1ccc(N(c2ccccc2)c2cc3c4c(c2)Sc2cc5c6cc7c(cc6c6ccccc6c5cc2B4c2ccccc2O3)B2c3ccccc3Oc3cc(N(c4ccccc4)c4ccccc4)cc(c32)S7)cc1.c1ccc(N(c2ccccc2)c2cc3c4c(c2)Sc2ccccc2B4c2cc4c5ccccc5c5cc6c(cc5c4cc2O3)Oc2cc(N(c3ccccc3)c3ccccc3)cc3c2B6c2ccccc2S3)cc1.c1ccc(N(c2ccccc2)c2ccc3c(c2)N(c2ccccc2)c2cccc4c2B3c2cc3c5ccccc5c5cc6c(cc5c3cc2S4)Sc2cccc3c2B6c2ccc(N(c4ccccc4)c4ccccc4)cc2N3c2ccccc2)cc1.c1ccc(N(c2ccccc2)c2ccc3c(c2)Oc2cccc4c2B3c2cc3c5ccccc5c5cc6c(cc5c3cc2S4)Sc2cccc3c2B6c2ccc(N(c4ccccc4)c4ccccc4)cc2O3)cc1.c1ccc(N2c3ccccc3B3c4cc5c6ccccc6c6cc7c(cc6c5cc4Sc4cccc2c43)Sc2cccc3c2B7c2ccccc2N3c2ccccc2)cc1.c1ccc2c(c1)Oc1cc(-n3c4ccccc4c4ccccc43)cc3c1B2c1cc2c4ccccc4c4cc5c(cc4c2cc1S3)Sc1cc(-n2c3ccccc3c3ccccc32)cc2c1B5c1ccccc1O2.c1ccc2c(c1)Sc1cc(-n3c4ccccc4c4ccccc43)cc3c1B2c1cc2c4ccccc4c4cc5c(cc4c2cc1O3)Oc1cc(-n2c3ccccc3c3ccccc32)cc2c1B5c1ccccc1S2.c1ccc2c(c1)Sc1cccc3c1B2c1cc2c4ccccc4c4cc5c(cc4c2cc1O3)Oc1cccc2c1B5c1ccccc1S2.
What is the InChIKey of 9-(37-carbazol-9-yl-21,40-dioxa-27,34-dithia-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15,17,19,22(48),23,25,28,32,35,37,39(47),41,43,45-henicosaen-24-yl)carbazole;9-(37-carbazol-9-yl-27,34-dioxa-21,40-dithia-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15,17,19,22,24,26(48),28,32,35(47),36,38,41,43,45-henicosaen-24-yl)carbazole;27,34-dioxa-21,40-dithia-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15,17,19,22,24,26(48),28,32,35(47),36,38,41,43,45-henicosaene;21,40-diphenyl-27,34-dithia-21,40-diaza-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15,17,19,22(48),23,25,28,32,35,37,39(47),41,43,45-henicosaene;18-N,18-N,43-N,43-N,21,40-hexakis-phenyl-27,34-dithia-21,40-diaza-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15(20),16,18,22(48),23,25,28,32,35,37,39(47),41(46),42,44-henicosaene-18,43-diamine;18-N,18-N,43-N,43-N-tetraphenyl-21,40-dioxa-27,34-dithia-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15(20),16,18,22(48),23,25,28,32,35,37,39(47),41(46),42,44-henicosaene-18,43-diamine;24-N,24-N,37-N,37-N-tetraphenyl-21,40-dioxa-27,34-dithia-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15,17,19,22(48),23,25,28,32,35,37,39(47),41,43,45-henicosaene-24,37-diamine;24-N,24-N,37-N,37-N-tetraphenyl-27,34-dioxa-21,40-dithia-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15,17,19,22,24,26(48),28,32,35(47),36,38,41,43,45-henicosaene-24,37-diamine?
The InChIKey is HJEZWXKKSLCIAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H50B2N4S2.2C66H36B2N2O2S2.3C66H40B2N2O2S2.C54H32B2N2S2.C42H22B2O2S2/c1-7-23-51(24-8-1)81(52-25-9-2-10-26-52)57-41-43-65-71(45-57)83(55-31-15-5-16-32-55)69-37-21-39-73-77(69)79(65)67-47-61-59-35-19-20-36-60(59)62-48-68-76(50-64(62)63(61)49-75(67)85-73)86-74-40-22-38-70-78(74)80(68)66-44-42-58(46-72(66)84(70)56-33-17-6-18-34-56)82(53-27-11-3-12-28-53)54-29-13-4-14-30-54;1-2-16-40-39(15-1)45-33-51-57(71-59-29-37(31-63-65(59)67(51)49-21-7-13-27-61(49)73-63)69-53-23-9-3-17-41(53)42-18-4-10-24-54(42)69)35-47(45)48-36-58-52(34-46(40)48)68-50-22-8-14-28-62(50)74-64-32-38(30-60(72-58)66(64)68)70-55-25-11-5-19-43(55)44-20-6-12-26-56(44)70;1-2-16-40-39(15-1)45-33-51-61(73-63-31-37(29-59-65(63)67(51)49-21-7-13-27-57(49)71-59)69-53-23-9-3-17-41(53)42-18-4-10-24-54(42)69)35-47(45)48-36-62-52(34-46(40)48)68-50-22-8-14-28-58(50)72-60-30-38(32-64(74-62)66(60)68)70-55-25-11-5-19-43(55)44-20-6-12-26-56(44)70;1-5-19-41(20-6-1)69(42-21-7-2-8-22-42)45-33-59-65-63(35-45)73-61-31-17-15-29-53(61)67(65)55-37-49-47-27-13-14-28-48(47)50-38-56-58(40-52(50)51(49)39-57(55)71-59)72-60-34-46(36-64-66(60)68(56)54-30-16-18-32-62(54)74-64)70(43-23-9-3-10-24-43)44-25-11-4-12-26-44;1-5-19-41(20-6-1)69(42-21-7-2-8-22-42)45-33-59-65-63(35-45)73-61-39-51-49(37-55(61)67(65)53-29-15-17-31-57(53)71-59)47-27-13-14-28-48(47)50-38-56-62(40-52(50)51)74-64-36-46(34-60-66(64)68(56)54-30-16-18-32-58(54)72-60)70(43-23-9-3-10-24-43)44-25-11-4-12-26-44;1-5-17-41(18-6-1)69(42-19-7-2-8-20-42)45-31-33-53-59(35-45)71-57-27-15-29-61-65(57)67(53)55-37-49-47-25-13-14-26-48(47)50-38-56-64(40-52(50)51(49)39-63(55)73-61)74-62-30-16-28-58-66(62)68(56)54-34-32-46(36-60(54)72-58)70(43-21-9-3-10-22-43)44-23-11-4-12-24-44;1-3-15-33(16-4-1)57-45-23-11-9-21-41(45)55-43-29-37-35-19-7-8-20-36(35)38-30-44-52(32-40(38)39(37)31-51(43)59-49-27-13-25-47(57)53(49)55)60-50-28-14-26-48-54(50)56(44)42-22-10-12-24-46(42)58(48)34-17-5-2-6-18-34;1-2-10-24-23(9-1)25-19-31-35(45-33-13-7-17-39-41(33)43(31)29-11-3-5-15-37(29)47-39)21-27(25)28-22-36-32(20-26(24)28)44-30-12-4-6-16-38(30)48-40-18-8-14-34(46-36)42(40)44/h1-50H;2*1-36H;3*1-40H;1-32H;1-22H.
What are the key properties of 9-(37-carbazol-9-yl-21,40-dioxa-27,34-dithia-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15,17,19,22(48),23,25,28,32,35,37,39(47),41,43,45-henicosaen-24-yl)carbazole;9-(37-carbazol-9-yl-27,34-dioxa-21,40-dithia-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15,17,19,22,24,26(48),28,32,35(47),36,38,41,43,45-henicosaen-24-yl)carbazole;27,34-dioxa-21,40-dithia-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15,17,19,22,24,26(48),28,32,35(47),36,38,41,43,45-henicosaene;21,40-diphenyl-27,34-dithia-21,40-diaza-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15,17,19,22(48),23,25,28,32,35,37,39(47),41,43,45-henicosaene;18-N,18-N,43-N,43-N,21,40-hexakis-phenyl-27,34-dithia-21,40-diaza-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15(20),16,18,22(48),23,25,28,32,35,37,39(47),41(46),42,44-henicosaene-18,43-diamine;18-N,18-N,43-N,43-N-tetraphenyl-21,40-dioxa-27,34-dithia-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15(20),16,18,22(48),23,25,28,32,35,37,39(47),41(46),42,44-henicosaene-18,43-diamine;24-N,24-N,37-N,37-N-tetraphenyl-21,40-dioxa-27,34-dithia-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15,17,19,22(48),23,25,28,32,35,37,39(47),41,43,45-henicosaene-24,37-diamine;24-N,24-N,37-N,37-N-tetraphenyl-27,34-dioxa-21,40-dithia-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15,17,19,22,24,26(48),28,32,35(47),36,38,41,43,45-henicosaene-24,37-diamine?
9-(37-carbazol-9-yl-21,40-dioxa-27,34-dithia-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15,17,19,22(48),23,25,28,32,35,37,39(47),41,43,45-henicosaen-24-yl)carbazole;9-(37-carbazol-9-yl-27,34-dioxa-21,40-dithia-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15,17,19,22,24,26(48),28,32,35(47),36,38,41,43,45-henicosaen-24-yl)carbazole;27,34-dioxa-21,40-dithia-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15,17,19,22,24,26(48),28,32,35(47),36,38,41,43,45-henicosaene;21,40-diphenyl-27,34-dithia-21,40-diaza-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15,17,19,22(48),23,25,28,32,35,37,39(47),41,43,45-henicosaene;18-N,18-N,43-N,43-N,21,40-hexakis-phenyl-27,34-dithia-21,40-diaza-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15(20),16,18,22(48),23,25,28,32,35,37,39(47),41(46),42,44-henicosaene-18,43-diamine;18-N,18-N,43-N,43-N-tetraphenyl-21,40-dioxa-27,34-dithia-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15(20),16,18,22(48),23,25,28,32,35,37,39(47),41(46),42,44-henicosaene-18,43-diamine;24-N,24-N,37-N,37-N-tetraphenyl-21,40-dioxa-27,34-dithia-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15,17,19,22(48),23,25,28,32,35,37,39(47),41,43,45-henicosaene-24,37-diamine;24-N,24-N,37-N,37-N-tetraphenyl-27,34-dioxa-21,40-dithia-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15,17,19,22,24,26(48),28,32,35(47),36,38,41,43,45-henicosaene-24,37-diamine has a molecular weight of 7454.08 g/mol, XLogP of 105.41, 32 rotatable bonds, 0 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(37-carbazol-9-yl-21,40-dioxa-27,34-dithia-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15,17,19,22(48),23,25,28,32,35,37,39(47),41,43,45-henicosaen-24-yl)carbazole;9-(37-carbazol-9-yl-27,34-dioxa-21,40-dithia-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15,17,19,22,24,26(48),28,32,35(47),36,38,41,43,45-henicosaen-24-yl)carbazole;27,34-dioxa-21,40-dithia-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15,17,19,22,24,26(48),28,32,35(47),36,38,41,43,45-henicosaene;21,40-diphenyl-27,34-dithia-21,40-diaza-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15,17,19,22(48),23,25,28,32,35,37,39(47),41,43,45-henicosaene;18-N,18-N,43-N,43-N,21,40-hexakis-phenyl-27,34-dithia-21,40-diaza-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15(20),16,18,22(48),23,25,28,32,35,37,39(47),41(46),42,44-henicosaene-18,43-diamine;18-N,18-N,43-N,43-N-tetraphenyl-21,40-dioxa-27,34-dithia-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15(20),16,18,22(48),23,25,28,32,35,37,39(47),41(46),42,44-henicosaene-18,43-diamine;24-N,24-N,37-N,37-N-tetraphenyl-21,40-dioxa-27,34-dithia-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15,17,19,22(48),23,25,28,32,35,37,39(47),41,43,45-henicosaene-24,37-diamine;24-N,24-N,37-N,37-N-tetraphenyl-27,34-dioxa-21,40-dithia-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15,17,19,22,24,26(48),28,32,35(47),36,38,41,43,45-henicosaene-24,37-diamine is sourced from PubChem (CID 163614956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).