23,37-bis(3,4-dihydro-2H-quinolin-1-yl)-26,30,34-trioxa-20,40-diaza-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-N,23-N,37-N,37-N,26,30,34-heptakis-phenyl-20,26,30,34,40-pentaza-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;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-15,30,45-triaza-1,8-diborapentadecacyclo[36.13.2.222,25.02,33.04,31.05,29.07,27.08,24.09,14.015,23.016,21.035,52.039,44.045,53.046,51]pentapentaconta-2,4(31),5(29),6,9,11,13,16,18,20,22,24,27,32,35(52),36,38(53),39,41,43,46,48,50,54-tetracosaene;26,30,34-triphenyl-15,26,30,34,45-pentaza-1,8-diborapentadecacyclo[36.13.2.222,25.02,33.04,31.05,29.07,27.08,24.09,14.015,23.016,21.035,52.039,44.045,53.046,51]pentapentaconta-2,4(31),5(29),6,9,11,13,16,18,20,22,24,27,32,35(52),36,38(53),39,41,43,46,48,50,54-tetracosaene

C354H214B10N24O7 — CID 159413158

IUPAC23,37-bis(3,4-dihydro-2H-quinolin-1-yl)-26,30,34-trioxa-20,40-diaza-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-N,23-N,37-N,37-N,26,30,34-heptakis-phenyl-20,26,30,34,40-pentaza-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;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-15,30,45-triaza-1,8-diborapentadecacyclo[36.13.2.222,25.02,33.04,31.05,29.07,27.08,24.09,14.015,23.016,21.035,52.039,44.045,53.046,51]pentapentaconta-2,4(31),5(29),6,9,11,13,16,18,20,22,24,27,32,35(52),36,38(53),39,41,43,46,48,50,54-tetracosaene;26,30,34-triphenyl-15,26,30,34,45-pentaza-1,8-diborapentadecacyclo[36.13.2.222,25.02,33.04,31.05,29.07,27.08,24.09,14.015,23.016,21.035,52.039,44.045,53.046,51]pentapentaconta-2,4(31),5(29),6,9,11,13,16,18,20,22,24,27,32,35(52),36,38(53),39,41,43,46,48,50,54-tetracosaene
SMILESc1ccc(-n2c3cc4c(cc3c3cc5c(cc32)Oc2ccc3c6ccccc6n6c3c2B5c2ccccc2-6)B2c3ccccc3-n3c5ccccc5c5ccc(c2c53)O4)cc1.c1ccc(N(c2ccccc2)c2cc3c4c(c2)-n2c5ccccc5c5cccc(c52)B4c2cc4c5cc6c(cc5n(-c5ccccc5)c4cc2N3c2ccccc2)N(c2ccccc2)c2cc(N(c3ccccc3)c3ccccc3)cc3c2B6c2cccc4c5ccccc5n-3c24)cc1.c1ccc(N(c2ccccc2)c2cc3c4c(c2)-n2c5ccccc5c5cccc(c52)B4c2cc4c5cc6c(cc5n(-c5ccccc5)c4cc2O3)Oc2cc(N(c3ccccc3)c3ccccc3)cc3c2B6c2cccc4c5ccccc5n-3c24)cc1.c1ccc(N2c3cc4c(cc3B3c5ccccc5-n5c6ccccc6c6ccc2c3c65)c2cc3c(cc2n4-c2ccccc2)N(c2ccccc2)c2ccc4c5ccccc5n5c4c2B3c2ccccc2-5)cc1.c1ccc2c(c1)CCCN2c1cc2c3c(c1)-n1c4ccccc4c4cccc(c41)B3c1cc3c(cc1O2)oc1cc2c(cc13)B1c3c(cc(N4CCCc5ccccc54)cc3-n3c4ccccc4c4cccc1c43)O2
InChIInChI=1S/C90H57B2N7.C78H47B2N5O2.C66H39B2N5.C66H42B2N4O3.C54H29B2N3O2/c1-8-28-58(29-9-1)93(59-30-10-2-11-31-59)65-50-83-87-85(52-65)98-77-48-24-22-42-67(77)69-44-26-46-73(89(69)98)91(87)75-54-71-72-55-76-82(57-80(72)95(62-36-16-5-17-37-62)79(71)56-81(75)96(83)63-38-18-6-19-39-63)97(64-40-20-7-21-41-64)84-51-66(94(60-32-12-3-13-33-60)61-34-14-4-15-35-61)53-86-88(84)92(76)74-47-27-45-70-68-43-23-25-49-78(68)99(86)90(70)74;1-6-22-48(23-7-1)81(49-24-8-2-9-25-49)53-40-69-75-73(42-53)86-71-46-67-59(44-63(71)79(75)61-36-20-34-57-55-32-16-18-38-65(55)84(69)77(57)61)60-45-64-72(47-68(60)83(67)52-30-14-5-15-31-52)87-74-43-54(82(50-26-10-3-11-27-50)51-28-12-4-13-29-51)41-70-76(74)80(64)62-37-21-35-58-56-33-17-19-39-66(56)85(70)78(58)62;1-4-18-40(19-5-1)69-57-34-32-45-43-24-10-14-28-53(43)72-55-30-16-12-26-49(55)67(63(57)65(45)72)51-36-47-48-37-52-62(39-60(48)71(59(47)38-61(51)69)42-22-8-3-9-23-42)70(41-20-6-2-7-21-41)58-35-33-46-44-25-11-15-29-54(44)73-56-31-17-13-27-50(56)68(52)64(58)66(46)73;1-5-23-51-37(13-1)15-11-27-69(51)39-29-55-63-61(31-39)74-59-35-57-45(33-49(59)67(63)47-21-9-19-43-41-17-3-7-25-53(41)71(55)65(43)47)46-34-50-60(36-58(46)73-57)75-62-32-40(70-28-12-16-38-14-2-6-24-52(38)70)30-56-64(62)68(50)48-22-10-20-44-42-18-4-8-26-54(42)72(56)66(44)48;1-2-12-30(13-3-1)57-45-28-49-39(55-37-16-6-10-20-43(37)58-41-18-8-4-14-31(41)33-22-24-47(60-49)51(55)53(33)58)26-35(45)36-27-40-50(29-46(36)57)61-48-25-23-34-32-15-5-9-19-42(32)59-44-21-11-7-17-38(44)56(40)52(48)54(34)59/h1-57H;1-47H;1-39H;1-10,13-14,17-26,29-36H,11-12,15-16,27-28H2;1-29H
InChIKeyLOVHALMIEYKYIH-UHFFFAOYSA-N
MW5023.89 g/mol
LogP67.80
Rot. Bonds22

About 23,37-bis(3,4-dihydro-2H-quinolin-1-yl)-26,30,34-trioxa-20,40-diaza-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-N,23-N,37-N,37-N,26,30,34-heptakis-phenyl-20,26,30,34,40-pentaza-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;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-15,30,45-triaza-1,8-diborapentadecacyclo[36.13.2.222,25.02,33.04,31.05,29.07,27.08,24.09,14.015,23.016,21.035,52.039,44.045,53.046,51]pentapentaconta-2,4(31),5(29),6,9,11,13,16,18,20,22,24,27,32,35(52),36,38(53),39,41,43,46,48,50,54-tetracosaene;26,30,34-triphenyl-15,26,30,34,45-pentaza-1,8-diborapentadecacyclo[36.13.2.222,25.02,33.04,31.05,29.07,27.08,24.09,14.015,23.016,21.035,52.039,44.045,53.046,51]pentapentaconta-2,4(31),5(29),6,9,11,13,16,18,20,22,24,27,32,35(52),36,38(53),39,41,43,46,48,50,54-tetracosaene

23,37-bis(3,4-dihydro-2H-quinolin-1-yl)-26,30,34-trioxa-20,40-diaza-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-N,23-N,37-N,37-N,26,30,34-heptakis-phenyl-20,26,30,34,40-pentaza-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;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-15,30,45-triaza-1,8-diborapentadecacyclo[36.13.2.222,25.02,33.04,31.05,29.07,27.08,24.09,14.015,23.016,21.035,52.039,44.045,53.046,51]pentapentaconta-2,4(31),5(29),6,9,11,13,16,18,20,22,24,27,32,35(52),36,38(53),39,41,43,46,48,50,54-tetracosaene;26,30,34-triphenyl-15,26,30,34,45-pentaza-1,8-diborapentadecacyclo[36.13.2.222,25.02,33.04,31.05,29.07,27.08,24.09,14.015,23.016,21.035,52.039,44.045,53.046,51]pentapentaconta-2,4(31),5(29),6,9,11,13,16,18,20,22,24,27,32,35(52),36,38(53),39,41,43,46,48,50,54-tetracosaene (PubChem CID 159413158) has the molecular formula C354H214B10N24O7 and a molecular weight of 5023.89 g/mol. Its IUPAC name is 23,37-bis(3,4-dihydro-2H-quinolin-1-yl)-26,30,34-trioxa-20,40-diaza-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-N,23-N,37-N,37-N,26,30,34-heptakis-phenyl-20,26,30,34,40-pentaza-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;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-15,30,45-triaza-1,8-diborapentadecacyclo[36.13.2.222,25.02,33.04,31.05,29.07,27.08,24.09,14.015,23.016,21.035,52.039,44.045,53.046,51]pentapentaconta-2,4(31),5(29),6,9,11,13,16,18,20,22,24,27,32,35(52),36,38(53),39,41,43,46,48,50,54-tetracosaene;26,30,34-triphenyl-15,26,30,34,45-pentaza-1,8-diborapentadecacyclo[36.13.2.222,25.02,33.04,31.05,29.07,27.08,24.09,14.015,23.016,21.035,52.039,44.045,53.046,51]pentapentaconta-2,4(31),5(29),6,9,11,13,16,18,20,22,24,27,32,35(52),36,38(53),39,41,43,46,48,50,54-tetracosaene.

Molecular Properties

Compound Name23,37-bis(3,4-dihydro-2H-quinolin-1-yl)-26,30,34-trioxa-20,40-diaza-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-N,23-N,37-N,37-N,26,30,34-heptakis-phenyl-20,26,30,34,40-pentaza-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;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-15,30,45-triaza-1,8-diborapentadecacyclo[36.13.2.222,25.02,33.04,31.05,29.07,27.08,24.09,14.015,23.016,21.035,52.039,44.045,53.046,51]pentapentaconta-2,4(31),5(29),6,9,11,13,16,18,20,22,24,27,32,35(52),36,38(53),39,41,43,46,48,50,54-tetracosaene;26,30,34-triphenyl-15,26,30,34,45-pentaza-1,8-diborapentadecacyclo[36.13.2.222,25.02,33.04,31.05,29.07,27.08,24.09,14.015,23.016,21.035,52.039,44.045,53.046,51]pentapentaconta-2,4(31),5(29),6,9,11,13,16,18,20,22,24,27,32,35(52),36,38(53),39,41,43,46,48,50,54-tetracosaene
PubChem CID159413158
Molecular FormulaC354H214B10N24O7
Molecular Weight5023.89 g/mol
Exact Mass5021.81
IUPAC Name23,37-bis(3,4-dihydro-2H-quinolin-1-yl)-26,30,34-trioxa-20,40-diaza-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-N,23-N,37-N,37-N,26,30,34-heptakis-phenyl-20,26,30,34,40-pentaza-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;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-15,30,45-triaza-1,8-diborapentadecacyclo[36.13.2.222,25.02,33.04,31.05,29.07,27.08,24.09,14.015,23.016,21.035,52.039,44.045,53.046,51]pentapentaconta-2,4(31),5(29),6,9,11,13,16,18,20,22,24,27,32,35(52),36,38(53),39,41,43,46,48,50,54-tetracosaene;26,30,34-triphenyl-15,26,30,34,45-pentaza-1,8-diborapentadecacyclo[36.13.2.222,25.02,33.04,31.05,29.07,27.08,24.09,14.015,23.016,21.035,52.039,44.045,53.046,51]pentapentaconta-2,4(31),5(29),6,9,11,13,16,18,20,22,24,27,32,35(52),36,38(53),39,41,43,46,48,50,54-tetracosaene
SMILESc1ccc(-n2c3cc4c(cc3c3cc5c(cc32)Oc2ccc3c6ccccc6n6c3c2B5c2ccccc2-6)B2c3ccccc3-n3c5ccccc5c5ccc(c2c53)O4)cc1.c1ccc(N(c2ccccc2)c2cc3c4c(c2)-n2c5ccccc5c5cccc(c52)B4c2cc4c5cc6c(cc5n(-c5ccccc5)c4cc2N3c2ccccc2)N(c2ccccc2)c2cc(N(c3ccccc3)c3ccccc3)cc3c2B6c2cccc4c5ccccc5n-3c24)cc1.c1ccc(N(c2ccccc2)c2cc3c4c(c2)-n2c5ccccc5c5cccc(c52)B4c2cc4c5cc6c(cc5n(-c5ccccc5)c4cc2O3)Oc2cc(N(c3ccccc3)c3ccccc3)cc3c2B6c2cccc4c5ccccc5n-3c24)cc1.c1ccc(N2c3cc4c(cc3B3c5ccccc5-n5c6ccccc6c6ccc2c3c65)c2cc3c(cc2n4-c2ccccc2)N(c2ccccc2)c2ccc4c5ccccc5n5c4c2B3c2ccccc2-5)cc1.c1ccc2c(c1)CCCN2c1cc2c3c(c1)-n1c4ccccc4c4cccc(c41)B3c1cc3c(cc1O2)oc1cc2c(cc13)B1c3c(cc(N4CCCc5ccccc54)cc3-n3c4ccccc4c4cccc1c43)O2
InChIInChI=1S/C90H57B2N7.C78H47B2N5O2.C66H39B2N5.C66H42B2N4O3.C54H29B2N3O2/c1-8-28-58(29-9-1)93(59-30-10-2-11-31-59)65-50-83-87-85(52-65)98-77-48-24-22-42-67(77)69-44-26-46-73(89(69)98)91(87)75-54-71-72-55-76-82(57-80(72)95(62-36-16-5-17-37-62)79(71)56-81(75)96(83)63-38-18-6-19-39-63)97(64-40-20-7-21-41-64)84-51-66(94(60-32-12-3-13-33-60)61-34-14-4-15-35-61)53-86-88(84)92(76)74-47-27-45-70-68-43-23-25-49-78(68)99(86)90(70)74;1-6-22-48(23-7-1)81(49-24-8-2-9-25-49)53-40-69-75-73(42-53)86-71-46-67-59(44-63(71)79(75)61-36-20-34-57-55-32-16-18-38-65(55)84(69)77(57)61)60-45-64-72(47-68(60)83(67)52-30-14-5-15-31-52)87-74-43-54(82(50-26-10-3-11-27-50)51-28-12-4-13-29-51)41-70-76(74)80(64)62-37-21-35-58-56-33-17-19-39-66(56)85(70)78(58)62;1-4-18-40(19-5-1)69-57-34-32-45-43-24-10-14-28-53(43)72-55-30-16-12-26-49(55)67(63(57)65(45)72)51-36-47-48-37-52-62(39-60(48)71(59(47)38-61(51)69)42-22-8-3-9-23-42)70(41-20-6-2-7-21-41)58-35-33-46-44-25-11-15-29-54(44)73-56-31-17-13-27-50(56)68(52)64(58)66(46)73;1-5-23-51-37(13-1)15-11-27-69(51)39-29-55-63-61(31-39)74-59-35-57-45(33-49(59)67(63)47-21-9-19-43-41-17-3-7-25-53(41)71(55)65(43)47)46-34-50-60(36-58(46)73-57)75-62-32-40(70-28-12-16-38-14-2-6-24-52(38)70)30-56-64(62)68(50)48-22-10-20-44-42-18-4-8-26-54(42)72(56)66(44)48;1-2-12-30(13-3-1)57-45-28-49-39(55-37-16-6-10-20-43(37)58-41-18-8-4-14-31(41)33-22-24-47(60-49)51(55)53(33)58)26-35(45)36-27-40-50(29-46(36)57)61-48-25-23-34-32-15-5-9-19-42(32)59-44-21-11-7-17-38(44)56(40)52(48)54(34)59/h1-57H;1-47H;1-39H;1-10,13-14,17-26,29-36H,11-12,15-16,27-28H2;1-29H
InChIKeyLOVHALMIEYKYIH-UHFFFAOYSA-N
XLogP67.80
TPSA169.94 Ų
H-Bond Donors
H-Bond Acceptors31
Rotatable Bonds22
Heavy Atoms395
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005023.89
LogP ≤ 567.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1031

Analyze 23,37-bis(3,4-dihydro-2H-quinolin-1-yl)-26,30,34-trioxa-20,40-diaza-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-N,23-N,37-N,37-N,26,30,34-heptakis-phenyl-20,26,30,34,40-pentaza-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;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-15,30,45-triaza-1,8-diborapentadecacyclo[36.13.2.222,25.02,33.04,31.05,29.07,27.08,24.09,14.015,23.016,21.035,52.039,44.045,53.046,51]pentapentaconta-2,4(31),5(29),6,9,11,13,16,18,20,22,24,27,32,35(52),36,38(53),39,41,43,46,48,50,54-tetracosaene;26,30,34-triphenyl-15,26,30,34,45-pentaza-1,8-diborapentadecacyclo[36.13.2.222,25.02,33.04,31.05,29.07,27.08,24.09,14.015,23.016,21.035,52.039,44.045,53.046,51]pentapentaconta-2,4(31),5(29),6,9,11,13,16,18,20,22,24,27,32,35(52),36,38(53),39,41,43,46,48,50,54-tetracosaene with MolForge

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Related Compounds

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
N,N,11,27-tetraphenyl-1,11,27-triaza-20-boranonacyclo[17.13.1.120,28.02,14.04,12.05,10.015,33.021,26.032,34]tetratriaconta-2(14),3,5,7,9,12,15,17,19(33),21,23,25,28,30,32(34)-pentadecaen-30-amine
CID 177260327
20,30-di(carbazol-9-yl)-23,27-diphenyl-17,23,27,33-tetraza-1,5-diboratridecacyclo[26.16.1.15,18.16,10.133,40.02,26.04,24.011,16.032,45.034,39.017,48.022,47.044,46]octatetraconta-2(26),3,6(48),7,9,11,13,15,18(47),19,21,24,28,30,32(45),34,36,38,40,42,44(46)-henicosaene;8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;N,N,8,14-tetraphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-amine
CID 159272798
17-N,17-N,27-N,27-N,24-pentakis-phenyl-20-oxa-14,24,30-triaza-1,5-diboraundecacyclo[23.13.1.15,15.16,10.130,34.02,23.04,21.029,39.014,42.019,41.038,40]dotetraconta-2,4(21),6(42),7,9,15(41),16,18,22,25,27,29(39),34,36,38(40)-pentadecaene-17,27-diamine
CID 158655893
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
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
9-(3,4-dihydro-2H-quinolin-1-yl)-15-N,15-N,25-N,25-N,22,28-hexakis-phenyl-12,18-dioxa-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(11),7,9,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;9-(9,9-dimethylacridin-10-yl)-15-N,15-N,25-N,25-N,22,28-hexakis-phenyl-12,18-dioxa-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(11),7,9,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine
CID 163424147
26,30,34-triphenyl-20,26,30,34,40-pentaza-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 156621733
30-chloro-20-N,20-N,40-N,40-N,23,37-hexakis-phenyl-27,33,43-trioxa-17,23,37-triaza-1,5,50-triborapentadecacyclo[26.25.1.15,18.16,10.138,42.02,26.04,24.011,16.032,54.034,53.036,51.044,49.017,57.022,56.050,55]heptapentaconta-2(26),3,6(57),7,9,11,13,15,18(56),19,21,24,28,30,32(54),34(53),35,38(55),39,41,44,46,48,51-tetracosaene-20,40-diamine
CID 162714351
20-N,20-N,30-N,30-N-tetraphenyl-23,27-dioxa-17,33-diaza-1,5-diboratridecacyclo[26.16.1.15,18.16,10.133,40.02,26.04,24.011,16.032,45.034,39.017,48.022,47.044,46]octatetraconta-2(26),3,6(48),7,9,11,13,15,18(47),19,21,24,28,30,32(45),34,36,38,40,42,44(46)-henicosaene-20,30-diamine
CID 153134637
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;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,32-N,25-triphenyl-18-N,32-N,15,35-tetra(propan-2-yl)-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
CID 157271717
10,19,30,34-tetraphenyl-1,10,19,34-tetraza-27-boraundecacyclo[20.17.1.127,35.02,21.03,11.04,9.012,20.013,18.026,40.028,33.039,41]hentetraconta-2,4,6,8,11,13,15,17,20,22,24,26(40),28(33),29,31,35,37,39(41)-octadecaene;10,19,37-triphenyl-41-oxa-1,10,19,37-tetraza-27-boratridecacyclo[24.20.1.127,42.02,21.03,11.04,9.012,20.013,18.022,47.028,40.030,38.031,36.046,48]octatetraconta-2,4,6,8,11,13,15,17,20,22,24,26(47),28,30(38),31,33,35,39,42,44,46(48)-henicosaene;10,19,34-triphenyl-1,10,19,34-tetraza-27-boraundecacyclo[20.17.1.127,35.02,21.03,11.04,9.012,20.013,18.026,40.028,33.039,41]hentetraconta-2,4,6,8,11,13,15,17,20,22,24,26(40),28,30,32,35,37,39(41)-octadecaene
CID 158133797

Frequently Asked Questions

What is the IUPAC name of 23,37-bis(3,4-dihydro-2H-quinolin-1-yl)-26,30,34-trioxa-20,40-diaza-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-N,23-N,37-N,37-N,26,30,34-heptakis-phenyl-20,26,30,34,40-pentaza-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;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-15,30,45-triaza-1,8-diborapentadecacyclo[36.13.2.222,25.02,33.04,31.05,29.07,27.08,24.09,14.015,23.016,21.035,52.039,44.045,53.046,51]pentapentaconta-2,4(31),5(29),6,9,11,13,16,18,20,22,24,27,32,35(52),36,38(53),39,41,43,46,48,50,54-tetracosaene;26,30,34-triphenyl-15,26,30,34,45-pentaza-1,8-diborapentadecacyclo[36.13.2.222,25.02,33.04,31.05,29.07,27.08,24.09,14.015,23.016,21.035,52.039,44.045,53.046,51]pentapentaconta-2,4(31),5(29),6,9,11,13,16,18,20,22,24,27,32,35(52),36,38(53),39,41,43,46,48,50,54-tetracosaene?
The IUPAC name of 23,37-bis(3,4-dihydro-2H-quinolin-1-yl)-26,30,34-trioxa-20,40-diaza-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-N,23-N,37-N,37-N,26,30,34-heptakis-phenyl-20,26,30,34,40-pentaza-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;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-15,30,45-triaza-1,8-diborapentadecacyclo[36.13.2.222,25.02,33.04,31.05,29.07,27.08,24.09,14.015,23.016,21.035,52.039,44.045,53.046,51]pentapentaconta-2,4(31),5(29),6,9,11,13,16,18,20,22,24,27,32,35(52),36,38(53),39,41,43,46,48,50,54-tetracosaene;26,30,34-triphenyl-15,26,30,34,45-pentaza-1,8-diborapentadecacyclo[36.13.2.222,25.02,33.04,31.05,29.07,27.08,24.09,14.015,23.016,21.035,52.039,44.045,53.046,51]pentapentaconta-2,4(31),5(29),6,9,11,13,16,18,20,22,24,27,32,35(52),36,38(53),39,41,43,46,48,50,54-tetracosaene (CID 159413158) is 23,37-bis(3,4-dihydro-2H-quinolin-1-yl)-26,30,34-trioxa-20,40-diaza-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-N,23-N,37-N,37-N,26,30,34-heptakis-phenyl-20,26,30,34,40-pentaza-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;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-15,30,45-triaza-1,8-diborapentadecacyclo[36.13.2.222,25.02,33.04,31.05,29.07,27.08,24.09,14.015,23.016,21.035,52.039,44.045,53.046,51]pentapentaconta-2,4(31),5(29),6,9,11,13,16,18,20,22,24,27,32,35(52),36,38(53),39,41,43,46,48,50,54-tetracosaene;26,30,34-triphenyl-15,26,30,34,45-pentaza-1,8-diborapentadecacyclo[36.13.2.222,25.02,33.04,31.05,29.07,27.08,24.09,14.015,23.016,21.035,52.039,44.045,53.046,51]pentapentaconta-2,4(31),5(29),6,9,11,13,16,18,20,22,24,27,32,35(52),36,38(53),39,41,43,46,48,50,54-tetracosaene.
What is the SMILES notation for 23,37-bis(3,4-dihydro-2H-quinolin-1-yl)-26,30,34-trioxa-20,40-diaza-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-N,23-N,37-N,37-N,26,30,34-heptakis-phenyl-20,26,30,34,40-pentaza-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;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-15,30,45-triaza-1,8-diborapentadecacyclo[36.13.2.222,25.02,33.04,31.05,29.07,27.08,24.09,14.015,23.016,21.035,52.039,44.045,53.046,51]pentapentaconta-2,4(31),5(29),6,9,11,13,16,18,20,22,24,27,32,35(52),36,38(53),39,41,43,46,48,50,54-tetracosaene;26,30,34-triphenyl-15,26,30,34,45-pentaza-1,8-diborapentadecacyclo[36.13.2.222,25.02,33.04,31.05,29.07,27.08,24.09,14.015,23.016,21.035,52.039,44.045,53.046,51]pentapentaconta-2,4(31),5(29),6,9,11,13,16,18,20,22,24,27,32,35(52),36,38(53),39,41,43,46,48,50,54-tetracosaene?
The canonical SMILES for 23,37-bis(3,4-dihydro-2H-quinolin-1-yl)-26,30,34-trioxa-20,40-diaza-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-N,23-N,37-N,37-N,26,30,34-heptakis-phenyl-20,26,30,34,40-pentaza-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;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-15,30,45-triaza-1,8-diborapentadecacyclo[36.13.2.222,25.02,33.04,31.05,29.07,27.08,24.09,14.015,23.016,21.035,52.039,44.045,53.046,51]pentapentaconta-2,4(31),5(29),6,9,11,13,16,18,20,22,24,27,32,35(52),36,38(53),39,41,43,46,48,50,54-tetracosaene;26,30,34-triphenyl-15,26,30,34,45-pentaza-1,8-diborapentadecacyclo[36.13.2.222,25.02,33.04,31.05,29.07,27.08,24.09,14.015,23.016,21.035,52.039,44.045,53.046,51]pentapentaconta-2,4(31),5(29),6,9,11,13,16,18,20,22,24,27,32,35(52),36,38(53),39,41,43,46,48,50,54-tetracosaene is c1ccc(-n2c3cc4c(cc3c3cc5c(cc32)Oc2ccc3c6ccccc6n6c3c2B5c2ccccc2-6)B2c3ccccc3-n3c5ccccc5c5ccc(c2c53)O4)cc1.c1ccc(N(c2ccccc2)c2cc3c4c(c2)-n2c5ccccc5c5cccc(c52)B4c2cc4c5cc6c(cc5n(-c5ccccc5)c4cc2N3c2ccccc2)N(c2ccccc2)c2cc(N(c3ccccc3)c3ccccc3)cc3c2B6c2cccc4c5ccccc5n-3c24)cc1.c1ccc(N(c2ccccc2)c2cc3c4c(c2)-n2c5ccccc5c5cccc(c52)B4c2cc4c5cc6c(cc5n(-c5ccccc5)c4cc2O3)Oc2cc(N(c3ccccc3)c3ccccc3)cc3c2B6c2cccc4c5ccccc5n-3c24)cc1.c1ccc(N2c3cc4c(cc3B3c5ccccc5-n5c6ccccc6c6ccc2c3c65)c2cc3c(cc2n4-c2ccccc2)N(c2ccccc2)c2ccc4c5ccccc5n5c4c2B3c2ccccc2-5)cc1.c1ccc2c(c1)CCCN2c1cc2c3c(c1)-n1c4ccccc4c4cccc(c41)B3c1cc3c(cc1O2)oc1cc2c(cc13)B1c3c(cc(N4CCCc5ccccc54)cc3-n3c4ccccc4c4cccc1c43)O2.
What is the InChIKey of 23,37-bis(3,4-dihydro-2H-quinolin-1-yl)-26,30,34-trioxa-20,40-diaza-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-N,23-N,37-N,37-N,26,30,34-heptakis-phenyl-20,26,30,34,40-pentaza-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;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-15,30,45-triaza-1,8-diborapentadecacyclo[36.13.2.222,25.02,33.04,31.05,29.07,27.08,24.09,14.015,23.016,21.035,52.039,44.045,53.046,51]pentapentaconta-2,4(31),5(29),6,9,11,13,16,18,20,22,24,27,32,35(52),36,38(53),39,41,43,46,48,50,54-tetracosaene;26,30,34-triphenyl-15,26,30,34,45-pentaza-1,8-diborapentadecacyclo[36.13.2.222,25.02,33.04,31.05,29.07,27.08,24.09,14.015,23.016,21.035,52.039,44.045,53.046,51]pentapentaconta-2,4(31),5(29),6,9,11,13,16,18,20,22,24,27,32,35(52),36,38(53),39,41,43,46,48,50,54-tetracosaene?
The InChIKey is LOVHALMIEYKYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H57B2N7.C78H47B2N5O2.C66H39B2N5.C66H42B2N4O3.C54H29B2N3O2/c1-8-28-58(29-9-1)93(59-30-10-2-11-31-59)65-50-83-87-85(52-65)98-77-48-24-22-42-67(77)69-44-26-46-73(89(69)98)91(87)75-54-71-72-55-76-82(57-80(72)95(62-36-16-5-17-37-62)79(71)56-81(75)96(83)63-38-18-6-19-39-63)97(64-40-20-7-21-41-64)84-51-66(94(60-32-12-3-13-33-60)61-34-14-4-15-35-61)53-86-88(84)92(76)74-47-27-45-70-68-43-23-25-49-78(68)99(86)90(70)74;1-6-22-48(23-7-1)81(49-24-8-2-9-25-49)53-40-69-75-73(42-53)86-71-46-67-59(44-63(71)79(75)61-36-20-34-57-55-32-16-18-38-65(55)84(69)77(57)61)60-45-64-72(47-68(60)83(67)52-30-14-5-15-31-52)87-74-43-54(82(50-26-10-3-11-27-50)51-28-12-4-13-29-51)41-70-76(74)80(64)62-37-21-35-58-56-33-17-19-39-66(56)85(70)78(58)62;1-4-18-40(19-5-1)69-57-34-32-45-43-24-10-14-28-53(43)72-55-30-16-12-26-49(55)67(63(57)65(45)72)51-36-47-48-37-52-62(39-60(48)71(59(47)38-61(51)69)42-22-8-3-9-23-42)70(41-20-6-2-7-21-41)58-35-33-46-44-25-11-15-29-54(44)73-56-31-17-13-27-50(56)68(52)64(58)66(46)73;1-5-23-51-37(13-1)15-11-27-69(51)39-29-55-63-61(31-39)74-59-35-57-45(33-49(59)67(63)47-21-9-19-43-41-17-3-7-25-53(41)71(55)65(43)47)46-34-50-60(36-58(46)73-57)75-62-32-40(70-28-12-16-38-14-2-6-24-52(38)70)30-56-64(62)68(50)48-22-10-20-44-42-18-4-8-26-54(42)72(56)66(44)48;1-2-12-30(13-3-1)57-45-28-49-39(55-37-16-6-10-20-43(37)58-41-18-8-4-14-31(41)33-22-24-47(60-49)51(55)53(33)58)26-35(45)36-27-40-50(29-46(36)57)61-48-25-23-34-32-15-5-9-19-42(32)59-44-21-11-7-17-38(44)56(40)52(48)54(34)59/h1-57H;1-47H;1-39H;1-10,13-14,17-26,29-36H,11-12,15-16,27-28H2;1-29H.
What are the key properties of 23,37-bis(3,4-dihydro-2H-quinolin-1-yl)-26,30,34-trioxa-20,40-diaza-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-N,23-N,37-N,37-N,26,30,34-heptakis-phenyl-20,26,30,34,40-pentaza-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;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-15,30,45-triaza-1,8-diborapentadecacyclo[36.13.2.222,25.02,33.04,31.05,29.07,27.08,24.09,14.015,23.016,21.035,52.039,44.045,53.046,51]pentapentaconta-2,4(31),5(29),6,9,11,13,16,18,20,22,24,27,32,35(52),36,38(53),39,41,43,46,48,50,54-tetracosaene;26,30,34-triphenyl-15,26,30,34,45-pentaza-1,8-diborapentadecacyclo[36.13.2.222,25.02,33.04,31.05,29.07,27.08,24.09,14.015,23.016,21.035,52.039,44.045,53.046,51]pentapentaconta-2,4(31),5(29),6,9,11,13,16,18,20,22,24,27,32,35(52),36,38(53),39,41,43,46,48,50,54-tetracosaene?
23,37-bis(3,4-dihydro-2H-quinolin-1-yl)-26,30,34-trioxa-20,40-diaza-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-N,23-N,37-N,37-N,26,30,34-heptakis-phenyl-20,26,30,34,40-pentaza-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;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-15,30,45-triaza-1,8-diborapentadecacyclo[36.13.2.222,25.02,33.04,31.05,29.07,27.08,24.09,14.015,23.016,21.035,52.039,44.045,53.046,51]pentapentaconta-2,4(31),5(29),6,9,11,13,16,18,20,22,24,27,32,35(52),36,38(53),39,41,43,46,48,50,54-tetracosaene;26,30,34-triphenyl-15,26,30,34,45-pentaza-1,8-diborapentadecacyclo[36.13.2.222,25.02,33.04,31.05,29.07,27.08,24.09,14.015,23.016,21.035,52.039,44.045,53.046,51]pentapentaconta-2,4(31),5(29),6,9,11,13,16,18,20,22,24,27,32,35(52),36,38(53),39,41,43,46,48,50,54-tetracosaene has a molecular weight of 5023.89 g/mol, XLogP of 67.80, 22 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 23,37-bis(3,4-dihydro-2H-quinolin-1-yl)-26,30,34-trioxa-20,40-diaza-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-N,23-N,37-N,37-N,26,30,34-heptakis-phenyl-20,26,30,34,40-pentaza-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;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-15,30,45-triaza-1,8-diborapentadecacyclo[36.13.2.222,25.02,33.04,31.05,29.07,27.08,24.09,14.015,23.016,21.035,52.039,44.045,53.046,51]pentapentaconta-2,4(31),5(29),6,9,11,13,16,18,20,22,24,27,32,35(52),36,38(53),39,41,43,46,48,50,54-tetracosaene;26,30,34-triphenyl-15,26,30,34,45-pentaza-1,8-diborapentadecacyclo[36.13.2.222,25.02,33.04,31.05,29.07,27.08,24.09,14.015,23.016,21.035,52.039,44.045,53.046,51]pentapentaconta-2,4(31),5(29),6,9,11,13,16,18,20,22,24,27,32,35(52),36,38(53),39,41,43,46,48,50,54-tetracosaene is sourced from PubChem (CID 159413158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).