15,24-ditert-butyl-12,18,21,27-tetrakis(4-tert-butylphenyl)-3,29-dithia-12,18,21,27-tetraza-1,5-diboradecacyclo[20.14.1.15,13.02,20.04,19.06,11.026,37.028,36.030,35.017,38]octatriaconta-2(20),4(19),6,8,10,13(38),14,16,22(37),23,25,28(36),30,32,34-pentadecaene;15,24-ditert-butyl-12,18,21,27-tetrakis(4-tert-butylphenyl)-3-thia-12,18,21,27-tetraza-1,5-diboranonacyclo[20.11.1.15,13.02,20.04,19.06,11.026,34.028,33.017,35]pentatriaconta-2(20),4(19),6,8,10,13(35),14,16,22,24,26(34),28,30,32-tetradecaene;15-N,15-N,24-N,24-N,12,18,21,27-octakis-phenyl-3,29-dithia-12,18,21,27-tetraza-1,5-diboradecacyclo[20.14.1.15,13.02,20.04,19.06,11.026,37.028,36.030,35.017,38]octatriaconta-2(20),4(19),6,8,10,13(38),14,16,22(37),23,25,28(36),30,32,34-pentadecaene-15,24-diamine;15-N,15-N,24-N,24-N,12,18,21,27-octakis-phenyl-3-thia-12,18,21,27-tetraza-1,5-diboranonacyclo[20.11.1.15,13.02,20.04,19.06,11.026,34.028,33.017,35]pentatriaconta-2(20),4(19),6,8,10,13(35),14,16,22,24,26(34),28,30,32-tetradecaene-15,24-diamine;12,18,21,27-tetraphenyl-3,29-dithia-12,18,21,27-tetraza-1,5-diboradecacyclo[20.14.1.15,13.02,20.04,19.06,11.026,37.028,36.030,35.017,38]octatriaconta-2(20),4(19),6,8,10,13(38),14,16,22(37),23,25,28(36),30,32,34-pentadecaene;12,18,21,27-tetraphenyl-3-thia-12,18,21,27-tetraza-1,5-diboranonacyclo[20.11.1.15,13.02,20.04,19.06,11.026,34.028,33.017,35]pentatriaconta-2(20),4(19),6,8,10,13(35),14,16,22,24,26(34),28,30,32-tetradecaene

C414H336B12N28S9 — CID 163558784

IUPAC15,24-ditert-butyl-12,18,21,27-tetrakis(4-tert-butylphenyl)-3,29-dithia-12,18,21,27-tetraza-1,5-diboradecacyclo[20.14.1.15,13.02,20.04,19.06,11.026,37.028,36.030,35.017,38]octatriaconta-2(20),4(19),6,8,10,13(38),14,16,22(37),23,25,28(36),30,32,34-pentadecaene;15,24-ditert-butyl-12,18,21,27-tetrakis(4-tert-butylphenyl)-3-thia-12,18,21,27-tetraza-1,5-diboranonacyclo[20.11.1.15,13.02,20.04,19.06,11.026,34.028,33.017,35]pentatriaconta-2(20),4(19),6,8,10,13(35),14,16,22,24,26(34),28,30,32-tetradecaene;15-N,15-N,24-N,24-N,12,18,21,27-octakis-phenyl-3,29-dithia-12,18,21,27-tetraza-1,5-diboradecacyclo[20.14.1.15,13.02,20.04,19.06,11.026,37.028,36.030,35.017,38]octatriaconta-2(20),4(19),6,8,10,13(38),14,16,22(37),23,25,28(36),30,32,34-pentadecaene-15,24-diamine;15-N,15-N,24-N,24-N,12,18,21,27-octakis-phenyl-3-thia-12,18,21,27-tetraza-1,5-diboranonacyclo[20.11.1.15,13.02,20.04,19.06,11.026,34.028,33.017,35]pentatriaconta-2(20),4(19),6,8,10,13(35),14,16,22,24,26(34),28,30,32-tetradecaene-15,24-diamine;12,18,21,27-tetraphenyl-3,29-dithia-12,18,21,27-tetraza-1,5-diboradecacyclo[20.14.1.15,13.02,20.04,19.06,11.026,37.028,36.030,35.017,38]octatriaconta-2(20),4(19),6,8,10,13(38),14,16,22(37),23,25,28(36),30,32,34-pentadecaene;12,18,21,27-tetraphenyl-3-thia-12,18,21,27-tetraza-1,5-diboranonacyclo[20.11.1.15,13.02,20.04,19.06,11.026,34.028,33.017,35]pentatriaconta-2(20),4(19),6,8,10,13(35),14,16,22,24,26(34),28,30,32-tetradecaene
SMILESCC(C)(C)c1ccc(N2c3ccccc3B3c4sc5c(c4N(c4ccc(C(C)(C)C)cc4)c4cc(C(C)(C)C)cc2c43)N(c2ccc(C(C)(C)C)cc2)c2cc(C(C)(C)C)cc3c2B5c2c(sc4ccccc24)N3c2ccc(C(C)(C)C)cc2)cc1.CC(C)(C)c1ccc(N2c3ccccc3B3c4sc5c(c4N(c4ccc(C(C)(C)C)cc4)c4cc(C(C)(C)C)cc2c43)N(c2ccc(C(C)(C)C)cc2)c2cc(C(C)(C)C)cc3c2B5c2ccccc2N3c2ccc(C(C)(C)C)cc2)cc1.c1ccc(N(c2ccccc2)c2cc3c4c(c2)N(c2ccccc2)c2c(sc5c2N(c2ccccc2)c2cc(N(c6ccccc6)c6ccccc6)cc6c2B5c2c(sc5ccccc25)N6c2ccccc2)B4c2ccccc2N3c2ccccc2)cc1.c1ccc(N(c2ccccc2)c2cc3c4c(c2)N(c2ccccc2)c2c(sc5c2N(c2ccccc2)c2cc(N(c6ccccc6)c6ccccc6)cc6c2B5c2ccccc2N6c2ccccc2)B4c2ccccc2N3c2ccccc2)cc1.c1ccc(N2c3ccccc3B3c4sc5c(c4N(c4ccccc4)c4cccc2c43)N(c2ccccc2)c2cccc3c2B5c2c(sc4ccccc24)N3c2ccccc2)cc1.c1ccc(N2c3ccccc3B3c4sc5c(c4N(c4ccccc4)c4cccc2c43)N(c2ccccc2)c2cccc3c2B5c2ccccc2N3c2ccccc2)cc1
InChIInChI=1S/C78H52B2N6S2.C78H82B2N4S2.C76H52B2N6S.C76H82B2N4S.C54H34B2N4S2.C52H34B2N4S/c1-9-29-53(30-10-1)81(54-31-11-2-12-32-54)61-49-66-72-67(50-61)84(58-39-19-6-20-40-58)74-75-77(88-76(74)79(72)64-46-26-27-47-65(64)83(66)57-37-17-5-18-38-57)80-71-63-45-25-28-48-70(63)87-78(71)86(60-43-23-8-24-44-60)69-52-62(51-68(73(69)80)85(75)59-41-21-7-22-42-59)82(55-33-13-3-14-34-55)56-35-15-4-16-36-56;1-73(2,3)47-27-35-53(36-28-47)81-59-25-21-20-24-58(59)79-66-60(81)43-51(77(13,14)15)44-61(66)82(54-37-29-48(30-38-54)74(4,5)6)68-69-71(86-70(68)79)80-65-57-23-19-22-26-64(57)85-72(65)84(56-41-33-50(34-42-56)76(10,11)12)63-46-52(78(16,17)18)45-62(67(63)80)83(69)55-39-31-49(32-40-55)75(7,8)9;1-9-29-53(30-10-1)79(54-31-11-2-12-32-54)61-49-67-71-69(51-61)83(59-41-21-7-22-42-59)73-74-76(85-75(73)77(71)63-45-25-27-47-65(63)81(67)57-37-17-5-18-38-57)78-64-46-26-28-48-66(64)82(58-39-19-6-20-40-58)68-50-62(52-70(72(68)78)84(74)60-43-23-8-24-44-60)80(55-33-13-3-14-34-55)56-35-15-4-16-36-56;1-71(2,3)47-27-35-53(36-28-47)79-59-25-21-19-23-57(59)77-65-61(79)43-51(75(13,14)15)45-63(65)81(55-39-31-49(32-40-55)73(7,8)9)67-68-70(83-69(67)77)78-58-24-20-22-26-60(58)80(54-37-29-48(30-38-54)72(4,5)6)62-44-52(76(16,17)18)46-64(66(62)78)82(68)56-41-33-50(34-42-56)74(10,11)12;1-5-19-35(20-6-1)57-41-29-15-14-28-40(41)55-48-42(57)30-17-31-43(48)58(36-21-7-2-8-22-36)50-51-53(62-52(50)55)56-47-39-27-13-16-34-46(39)61-54(47)60(38-25-11-4-12-26-38)45-33-18-32-44(49(45)56)59(51)37-23-9-3-10-24-37;1-5-19-35(20-6-1)55-41-29-15-13-27-39(41)53-47-43(55)31-17-33-45(47)57(37-23-9-3-10-24-37)49-50-52(59-51(49)53)54-40-28-14-16-30-42(40)56(36-21-7-2-8-22-36)44-32-18-34-46(48(44)54)58(50)38-25-11-4-12-26-38/h1-52H;19-46H,1-18H3;1-52H;19-46H,1-18H3;1-34H;1-34H
InChIKeyFPKCOZNBMFZWPL-UHFFFAOYSA-N
MW6121.79 g/mol
LogP92.57
Rot. Bonds36

About 15,24-ditert-butyl-12,18,21,27-tetrakis(4-tert-butylphenyl)-3,29-dithia-12,18,21,27-tetraza-1,5-diboradecacyclo[20.14.1.15,13.02,20.04,19.06,11.026,37.028,36.030,35.017,38]octatriaconta-2(20),4(19),6,8,10,13(38),14,16,22(37),23,25,28(36),30,32,34-pentadecaene;15,24-ditert-butyl-12,18,21,27-tetrakis(4-tert-butylphenyl)-3-thia-12,18,21,27-tetraza-1,5-diboranonacyclo[20.11.1.15,13.02,20.04,19.06,11.026,34.028,33.017,35]pentatriaconta-2(20),4(19),6,8,10,13(35),14,16,22,24,26(34),28,30,32-tetradecaene;15-N,15-N,24-N,24-N,12,18,21,27-octakis-phenyl-3,29-dithia-12,18,21,27-tetraza-1,5-diboradecacyclo[20.14.1.15,13.02,20.04,19.06,11.026,37.028,36.030,35.017,38]octatriaconta-2(20),4(19),6,8,10,13(38),14,16,22(37),23,25,28(36),30,32,34-pentadecaene-15,24-diamine;15-N,15-N,24-N,24-N,12,18,21,27-octakis-phenyl-3-thia-12,18,21,27-tetraza-1,5-diboranonacyclo[20.11.1.15,13.02,20.04,19.06,11.026,34.028,33.017,35]pentatriaconta-2(20),4(19),6,8,10,13(35),14,16,22,24,26(34),28,30,32-tetradecaene-15,24-diamine;12,18,21,27-tetraphenyl-3,29-dithia-12,18,21,27-tetraza-1,5-diboradecacyclo[20.14.1.15,13.02,20.04,19.06,11.026,37.028,36.030,35.017,38]octatriaconta-2(20),4(19),6,8,10,13(38),14,16,22(37),23,25,28(36),30,32,34-pentadecaene;12,18,21,27-tetraphenyl-3-thia-12,18,21,27-tetraza-1,5-diboranonacyclo[20.11.1.15,13.02,20.04,19.06,11.026,34.028,33.017,35]pentatriaconta-2(20),4(19),6,8,10,13(35),14,16,22,24,26(34),28,30,32-tetradecaene

15,24-ditert-butyl-12,18,21,27-tetrakis(4-tert-butylphenyl)-3,29-dithia-12,18,21,27-tetraza-1,5-diboradecacyclo[20.14.1.15,13.02,20.04,19.06,11.026,37.028,36.030,35.017,38]octatriaconta-2(20),4(19),6,8,10,13(38),14,16,22(37),23,25,28(36),30,32,34-pentadecaene;15,24-ditert-butyl-12,18,21,27-tetrakis(4-tert-butylphenyl)-3-thia-12,18,21,27-tetraza-1,5-diboranonacyclo[20.11.1.15,13.02,20.04,19.06,11.026,34.028,33.017,35]pentatriaconta-2(20),4(19),6,8,10,13(35),14,16,22,24,26(34),28,30,32-tetradecaene;15-N,15-N,24-N,24-N,12,18,21,27-octakis-phenyl-3,29-dithia-12,18,21,27-tetraza-1,5-diboradecacyclo[20.14.1.15,13.02,20.04,19.06,11.026,37.028,36.030,35.017,38]octatriaconta-2(20),4(19),6,8,10,13(38),14,16,22(37),23,25,28(36),30,32,34-pentadecaene-15,24-diamine;15-N,15-N,24-N,24-N,12,18,21,27-octakis-phenyl-3-thia-12,18,21,27-tetraza-1,5-diboranonacyclo[20.11.1.15,13.02,20.04,19.06,11.026,34.028,33.017,35]pentatriaconta-2(20),4(19),6,8,10,13(35),14,16,22,24,26(34),28,30,32-tetradecaene-15,24-diamine;12,18,21,27-tetraphenyl-3,29-dithia-12,18,21,27-tetraza-1,5-diboradecacyclo[20.14.1.15,13.02,20.04,19.06,11.026,37.028,36.030,35.017,38]octatriaconta-2(20),4(19),6,8,10,13(38),14,16,22(37),23,25,28(36),30,32,34-pentadecaene;12,18,21,27-tetraphenyl-3-thia-12,18,21,27-tetraza-1,5-diboranonacyclo[20.11.1.15,13.02,20.04,19.06,11.026,34.028,33.017,35]pentatriaconta-2(20),4(19),6,8,10,13(35),14,16,22,24,26(34),28,30,32-tetradecaene (PubChem CID 163558784) has the molecular formula C414H336B12N28S9 and a molecular weight of 6121.79 g/mol. Its IUPAC name is 15,24-ditert-butyl-12,18,21,27-tetrakis(4-tert-butylphenyl)-3,29-dithia-12,18,21,27-tetraza-1,5-diboradecacyclo[20.14.1.15,13.02,20.04,19.06,11.026,37.028,36.030,35.017,38]octatriaconta-2(20),4(19),6,8,10,13(38),14,16,22(37),23,25,28(36),30,32,34-pentadecaene;15,24-ditert-butyl-12,18,21,27-tetrakis(4-tert-butylphenyl)-3-thia-12,18,21,27-tetraza-1,5-diboranonacyclo[20.11.1.15,13.02,20.04,19.06,11.026,34.028,33.017,35]pentatriaconta-2(20),4(19),6,8,10,13(35),14,16,22,24,26(34),28,30,32-tetradecaene;15-N,15-N,24-N,24-N,12,18,21,27-octakis-phenyl-3,29-dithia-12,18,21,27-tetraza-1,5-diboradecacyclo[20.14.1.15,13.02,20.04,19.06,11.026,37.028,36.030,35.017,38]octatriaconta-2(20),4(19),6,8,10,13(38),14,16,22(37),23,25,28(36),30,32,34-pentadecaene-15,24-diamine;15-N,15-N,24-N,24-N,12,18,21,27-octakis-phenyl-3-thia-12,18,21,27-tetraza-1,5-diboranonacyclo[20.11.1.15,13.02,20.04,19.06,11.026,34.028,33.017,35]pentatriaconta-2(20),4(19),6,8,10,13(35),14,16,22,24,26(34),28,30,32-tetradecaene-15,24-diamine;12,18,21,27-tetraphenyl-3,29-dithia-12,18,21,27-tetraza-1,5-diboradecacyclo[20.14.1.15,13.02,20.04,19.06,11.026,37.028,36.030,35.017,38]octatriaconta-2(20),4(19),6,8,10,13(38),14,16,22(37),23,25,28(36),30,32,34-pentadecaene;12,18,21,27-tetraphenyl-3-thia-12,18,21,27-tetraza-1,5-diboranonacyclo[20.11.1.15,13.02,20.04,19.06,11.026,34.028,33.017,35]pentatriaconta-2(20),4(19),6,8,10,13(35),14,16,22,24,26(34),28,30,32-tetradecaene.

Molecular Properties

Compound Name15,24-ditert-butyl-12,18,21,27-tetrakis(4-tert-butylphenyl)-3,29-dithia-12,18,21,27-tetraza-1,5-diboradecacyclo[20.14.1.15,13.02,20.04,19.06,11.026,37.028,36.030,35.017,38]octatriaconta-2(20),4(19),6,8,10,13(38),14,16,22(37),23,25,28(36),30,32,34-pentadecaene;15,24-ditert-butyl-12,18,21,27-tetrakis(4-tert-butylphenyl)-3-thia-12,18,21,27-tetraza-1,5-diboranonacyclo[20.11.1.15,13.02,20.04,19.06,11.026,34.028,33.017,35]pentatriaconta-2(20),4(19),6,8,10,13(35),14,16,22,24,26(34),28,30,32-tetradecaene;15-N,15-N,24-N,24-N,12,18,21,27-octakis-phenyl-3,29-dithia-12,18,21,27-tetraza-1,5-diboradecacyclo[20.14.1.15,13.02,20.04,19.06,11.026,37.028,36.030,35.017,38]octatriaconta-2(20),4(19),6,8,10,13(38),14,16,22(37),23,25,28(36),30,32,34-pentadecaene-15,24-diamine;15-N,15-N,24-N,24-N,12,18,21,27-octakis-phenyl-3-thia-12,18,21,27-tetraza-1,5-diboranonacyclo[20.11.1.15,13.02,20.04,19.06,11.026,34.028,33.017,35]pentatriaconta-2(20),4(19),6,8,10,13(35),14,16,22,24,26(34),28,30,32-tetradecaene-15,24-diamine;12,18,21,27-tetraphenyl-3,29-dithia-12,18,21,27-tetraza-1,5-diboradecacyclo[20.14.1.15,13.02,20.04,19.06,11.026,37.028,36.030,35.017,38]octatriaconta-2(20),4(19),6,8,10,13(38),14,16,22(37),23,25,28(36),30,32,34-pentadecaene;12,18,21,27-tetraphenyl-3-thia-12,18,21,27-tetraza-1,5-diboranonacyclo[20.11.1.15,13.02,20.04,19.06,11.026,34.028,33.017,35]pentatriaconta-2(20),4(19),6,8,10,13(35),14,16,22,24,26(34),28,30,32-tetradecaene
PubChem CID163558784
Molecular FormulaC414H336B12N28S9
Molecular Weight6121.79 g/mol
Exact Mass6118.58
IUPAC Name15,24-ditert-butyl-12,18,21,27-tetrakis(4-tert-butylphenyl)-3,29-dithia-12,18,21,27-tetraza-1,5-diboradecacyclo[20.14.1.15,13.02,20.04,19.06,11.026,37.028,36.030,35.017,38]octatriaconta-2(20),4(19),6,8,10,13(38),14,16,22(37),23,25,28(36),30,32,34-pentadecaene;15,24-ditert-butyl-12,18,21,27-tetrakis(4-tert-butylphenyl)-3-thia-12,18,21,27-tetraza-1,5-diboranonacyclo[20.11.1.15,13.02,20.04,19.06,11.026,34.028,33.017,35]pentatriaconta-2(20),4(19),6,8,10,13(35),14,16,22,24,26(34),28,30,32-tetradecaene;15-N,15-N,24-N,24-N,12,18,21,27-octakis-phenyl-3,29-dithia-12,18,21,27-tetraza-1,5-diboradecacyclo[20.14.1.15,13.02,20.04,19.06,11.026,37.028,36.030,35.017,38]octatriaconta-2(20),4(19),6,8,10,13(38),14,16,22(37),23,25,28(36),30,32,34-pentadecaene-15,24-diamine;15-N,15-N,24-N,24-N,12,18,21,27-octakis-phenyl-3-thia-12,18,21,27-tetraza-1,5-diboranonacyclo[20.11.1.15,13.02,20.04,19.06,11.026,34.028,33.017,35]pentatriaconta-2(20),4(19),6,8,10,13(35),14,16,22,24,26(34),28,30,32-tetradecaene-15,24-diamine;12,18,21,27-tetraphenyl-3,29-dithia-12,18,21,27-tetraza-1,5-diboradecacyclo[20.14.1.15,13.02,20.04,19.06,11.026,37.028,36.030,35.017,38]octatriaconta-2(20),4(19),6,8,10,13(38),14,16,22(37),23,25,28(36),30,32,34-pentadecaene;12,18,21,27-tetraphenyl-3-thia-12,18,21,27-tetraza-1,5-diboranonacyclo[20.11.1.15,13.02,20.04,19.06,11.026,34.028,33.017,35]pentatriaconta-2(20),4(19),6,8,10,13(35),14,16,22,24,26(34),28,30,32-tetradecaene
SMILESCC(C)(C)c1ccc(N2c3ccccc3B3c4sc5c(c4N(c4ccc(C(C)(C)C)cc4)c4cc(C(C)(C)C)cc2c43)N(c2ccc(C(C)(C)C)cc2)c2cc(C(C)(C)C)cc3c2B5c2c(sc4ccccc24)N3c2ccc(C(C)(C)C)cc2)cc1.CC(C)(C)c1ccc(N2c3ccccc3B3c4sc5c(c4N(c4ccc(C(C)(C)C)cc4)c4cc(C(C)(C)C)cc2c43)N(c2ccc(C(C)(C)C)cc2)c2cc(C(C)(C)C)cc3c2B5c2ccccc2N3c2ccc(C(C)(C)C)cc2)cc1.c1ccc(N(c2ccccc2)c2cc3c4c(c2)N(c2ccccc2)c2c(sc5c2N(c2ccccc2)c2cc(N(c6ccccc6)c6ccccc6)cc6c2B5c2c(sc5ccccc25)N6c2ccccc2)B4c2ccccc2N3c2ccccc2)cc1.c1ccc(N(c2ccccc2)c2cc3c4c(c2)N(c2ccccc2)c2c(sc5c2N(c2ccccc2)c2cc(N(c6ccccc6)c6ccccc6)cc6c2B5c2ccccc2N6c2ccccc2)B4c2ccccc2N3c2ccccc2)cc1.c1ccc(N2c3ccccc3B3c4sc5c(c4N(c4ccccc4)c4cccc2c43)N(c2ccccc2)c2cccc3c2B5c2c(sc4ccccc24)N3c2ccccc2)cc1.c1ccc(N2c3ccccc3B3c4sc5c(c4N(c4ccccc4)c4cccc2c43)N(c2ccccc2)c2cccc3c2B5c2ccccc2N3c2ccccc2)cc1
InChIInChI=1S/C78H52B2N6S2.C78H82B2N4S2.C76H52B2N6S.C76H82B2N4S.C54H34B2N4S2.C52H34B2N4S/c1-9-29-53(30-10-1)81(54-31-11-2-12-32-54)61-49-66-72-67(50-61)84(58-39-19-6-20-40-58)74-75-77(88-76(74)79(72)64-46-26-27-47-65(64)83(66)57-37-17-5-18-38-57)80-71-63-45-25-28-48-70(63)87-78(71)86(60-43-23-8-24-44-60)69-52-62(51-68(73(69)80)85(75)59-41-21-7-22-42-59)82(55-33-13-3-14-34-55)56-35-15-4-16-36-56;1-73(2,3)47-27-35-53(36-28-47)81-59-25-21-20-24-58(59)79-66-60(81)43-51(77(13,14)15)44-61(66)82(54-37-29-48(30-38-54)74(4,5)6)68-69-71(86-70(68)79)80-65-57-23-19-22-26-64(57)85-72(65)84(56-41-33-50(34-42-56)76(10,11)12)63-46-52(78(16,17)18)45-62(67(63)80)83(69)55-39-31-49(32-40-55)75(7,8)9;1-9-29-53(30-10-1)79(54-31-11-2-12-32-54)61-49-67-71-69(51-61)83(59-41-21-7-22-42-59)73-74-76(85-75(73)77(71)63-45-25-27-47-65(63)81(67)57-37-17-5-18-38-57)78-64-46-26-28-48-66(64)82(58-39-19-6-20-40-58)68-50-62(52-70(72(68)78)84(74)60-43-23-8-24-44-60)80(55-33-13-3-14-34-55)56-35-15-4-16-36-56;1-71(2,3)47-27-35-53(36-28-47)79-59-25-21-19-23-57(59)77-65-61(79)43-51(75(13,14)15)45-63(65)81(55-39-31-49(32-40-55)73(7,8)9)67-68-70(83-69(67)77)78-58-24-20-22-26-60(58)80(54-37-29-48(30-38-54)72(4,5)6)62-44-52(76(16,17)18)46-64(66(62)78)82(68)56-41-33-50(34-42-56)74(10,11)12;1-5-19-35(20-6-1)57-41-29-15-14-28-40(41)55-48-42(57)30-17-31-43(48)58(36-21-7-2-8-22-36)50-51-53(62-52(50)55)56-47-39-27-13-16-34-46(39)61-54(47)60(38-25-11-4-12-26-38)45-33-18-32-44(49(45)56)59(51)37-23-9-3-10-24-37;1-5-19-35(20-6-1)55-41-29-15-13-27-39(41)53-47-43(55)31-17-33-45(47)57(37-23-9-3-10-24-37)49-50-52(59-51(49)53)54-40-28-14-16-30-42(40)56(36-21-7-2-8-22-36)44-32-18-34-46(48(44)54)58(50)38-25-11-4-12-26-38/h1-52H;19-46H,1-18H3;1-52H;19-46H,1-18H3;1-34H;1-34H
InChIKeyFPKCOZNBMFZWPL-UHFFFAOYSA-N
XLogP92.57
TPSA90.72 Ų
H-Bond Donors
H-Bond Acceptors37
Rotatable Bonds36
Heavy Atoms463
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5006121.79
LogP ≤ 592.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1037

Analyze 15,24-ditert-butyl-12,18,21,27-tetrakis(4-tert-butylphenyl)-3,29-dithia-12,18,21,27-tetraza-1,5-diboradecacyclo[20.14.1.15,13.02,20.04,19.06,11.026,37.028,36.030,35.017,38]octatriaconta-2(20),4(19),6,8,10,13(38),14,16,22(37),23,25,28(36),30,32,34-pentadecaene;15,24-ditert-butyl-12,18,21,27-tetrakis(4-tert-butylphenyl)-3-thia-12,18,21,27-tetraza-1,5-diboranonacyclo[20.11.1.15,13.02,20.04,19.06,11.026,34.028,33.017,35]pentatriaconta-2(20),4(19),6,8,10,13(35),14,16,22,24,26(34),28,30,32-tetradecaene;15-N,15-N,24-N,24-N,12,18,21,27-octakis-phenyl-3,29-dithia-12,18,21,27-tetraza-1,5-diboradecacyclo[20.14.1.15,13.02,20.04,19.06,11.026,37.028,36.030,35.017,38]octatriaconta-2(20),4(19),6,8,10,13(38),14,16,22(37),23,25,28(36),30,32,34-pentadecaene-15,24-diamine;15-N,15-N,24-N,24-N,12,18,21,27-octakis-phenyl-3-thia-12,18,21,27-tetraza-1,5-diboranonacyclo[20.11.1.15,13.02,20.04,19.06,11.026,34.028,33.017,35]pentatriaconta-2(20),4(19),6,8,10,13(35),14,16,22,24,26(34),28,30,32-tetradecaene-15,24-diamine;12,18,21,27-tetraphenyl-3,29-dithia-12,18,21,27-tetraza-1,5-diboradecacyclo[20.14.1.15,13.02,20.04,19.06,11.026,37.028,36.030,35.017,38]octatriaconta-2(20),4(19),6,8,10,13(38),14,16,22(37),23,25,28(36),30,32,34-pentadecaene;12,18,21,27-tetraphenyl-3-thia-12,18,21,27-tetraza-1,5-diboranonacyclo[20.11.1.15,13.02,20.04,19.06,11.026,34.028,33.017,35]pentatriaconta-2(20),4(19),6,8,10,13(35),14,16,22,24,26(34),28,30,32-tetradecaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

14-(4-tert-butylphenyl)-N,N,8-triphenyl-22-thia-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2,4,6,9(24),10,12,15(23),16,18,20-decaen-11-amine
CID 164708560
18,27-ditert-butyl-15,21,24,30-tetrakis(4-tert-butylphenyl)-40-oxa-3,13-dithia-15,21,24,30-tetraza-1,5-diboradodecacyclo[23.18.1.15,16.02,23.04,22.06,14.07,12.029,44.031,43.033,41.034,39.020,45]pentatetraconta-2(23),4(22),6(14),7,9,11,16,18,20(45),25,27,29(44),31,33(41),34,36,38,42-octadecaene
CID 162423851
N,N,19,25,32,38-hexakis-phenyl-5,17,46-trithia-19,25,32,38-tetraza-1,9-diboratridecacyclo[31.14.1.19,20.02,31.04,29.06,28.08,26.010,18.011,16.037,48.039,47.040,45.024,49]nonatetraconta-2,4(29),6(28),7,10(18),11,13,15,20,22,24(49),26,30,33(48),34,36,39(47),40,42,44-icosaen-22-amine;19-N,19-N,32-N,32-N,16,22,29,35-octakis-phenyl-5,43-dithia-16,22,29,35-tetraza-1,9-diboradodecacyclo[28.14.1.19,17.02,28.04,26.06,25.08,23.010,15.034,45.036,44.037,42.021,46]hexatetraconta-2,4(26),6(25),7,10,12,14,17(46),18,20,23,27,30(45),31,33,36(44),37,39,41-nonadecaene-19,32-diamine;19-N,19-N,32-N,32-N,16,22,29,35-octakis-phenyl-5-thia-16,22,29,35-tetraza-1,9-diboraundecacyclo[28.11.1.19,17.02,28.04,26.06,25.08,23.010,15.034,42.036,41.021,43]tritetraconta-2,4(26),6(25),7,10,12,14,17(43),18,20,23,27,30,32,34(42),36,38,40-octadecaene-19,32-diamine;16,22,29,35-tetraphenyl-39-oxa-5-thia-16,22,29,35-tetraza-1,9-diboratridecacyclo[28.18.1.19,17.02,28.04,26.06,25.08,23.010,15.034,49.036,48.038,46.040,45.021,50]pentaconta-2,4(26),6(25),7,10,12,14,17(50),18,20,23,27,30(49),31,33,36,38(46),40,42,44,47-henicosaene;16,22,29,35-tetraphenyl-5-thia-16,22,29,35-tetraza-1,9-diboraundecacyclo[28.11.1.19,17.02,28.04,26.06,25.08,23.010,15.034,42.036,41.021,43]tritetraconta-2,4(26),6(25),7,10,12,14,17(43),18,20,23,27,30,32,34(42),36,38,40-octadecaene;19,25,32,38-tetraphenyl-5,11,46-trithia-19,25,32,38-tetraza-1,9-diboratridecacyclo[31.14.1.19,20.02,31.04,29.06,28.08,26.010,18.012,17.037,48.039,47.040,45.024,49]nonatetraconta-2,4(29),6(28),7,10(18),12,14,16,20,22,24(49),26,30,33(48),34,36,39(47),40,42,44-icosaene
CID 163705033
11-(4-tert-butylphenyl)-21,21,24,24-tetramethyl-N,N-diphenyl-17-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-9-thia-11,17-diaza-1-boraheptacyclo[14.11.1.02,10.03,8.012,28.018,27.020,25]octacosa-2(10),3,5,7,12(28),13,15,18,20(25),26-decaen-14-amine
CID 167373743
18-tert-butyl-N,N-bis(4-tert-butylphenyl)-8-dibenzothiophen-4-yl-14-phenyl-22-thia-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9,11,13(24),15(23),16(21),17,19-decaen-5-amine
CID 170520001
18-tert-butyl-N,N,14-tris(4-tert-butylphenyl)-8-dibenzothiophen-1-yl-22-thia-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9,11,13(24),15(23),16(21),17,19-decaen-5-amine
CID 170520030
8-(4-tert-butylphenyl)-N,N,14-triphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine
CID 140927478
N,N,8,14-tetrakis(4-tert-butylphenyl)-20-phenyl-22-thia-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9(24),10,12,15(23),16(21),17,19-decaen-5-amine
CID 172530517
11,18-ditert-butyl-N,N,14-tris(4-tert-butylphenyl)-8-dibenzofuran-4-yl-22-thia-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9,11,13(24),15(23),16(21),17,19-decaen-5-amine
CID 174109541
13,32-bis(4-tert-butylphenyl)-29-methyl-N,N,10,36-tetraphenyl-41-thia-13,19,26,32-tetraza-1,6-diboraundecacyclo[25.11.1.12,5.16,14.03,26.04,19.07,12.020,25.031,39.033,38.018,40]hentetraconta-2,4,7(12),8,10,14(40),15,17,20,22,24,27,29,31(39),33(38),34,36-heptadecaen-16-amine
CID 174140646
7-tert-butyl-11-(4-tert-butylphenyl)-17-(3,5-ditert-butylphenyl)-21,21,24,24-tetramethyl-N,N-diphenyl-3-thia-11,17-diaza-1-boraheptacyclo[14.11.1.02,10.04,9.012,28.018,27.020,25]octacosa-2(10),4(9),5,7,12(28),13,15,18,20(25),26-decaen-14-amine
CID 164931198
23-tert-butyl-21-(4-tert-butylphenyl)-N,N,5,15-tetraphenyl-25-thia-5,15,21-triaza-1-boraheptacyclo[14.10.1.02,14.04,12.06,11.020,27.022,26]heptacosa-2,4(12),6,8,10,13,16(27),17,19,22(26),23-undecaen-18-amine;7-(4-tert-butylphenyl)-N,N,13-triphenyl-5-oxa-7,13-diaza-1-borapentacyclo[10.7.1.02,6.08,20.014,19]icosa-2(6),3,8,10,12(20),14,16,18-octaen-10-amine;14-(4-tert-butylphenyl)-N,N,8-triphenyl-16-thia-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-2,4,6,9(24),10,12,15(23),17,19,21-decaen-11-amine;7-(4-tert-butylphenyl)-N,N,13-triphenyl-5-thia-7,13-diaza-1-borapentacyclo[10.7.1.02,6.08,20.014,19]icosa-2(6),3,8,10,12(20),14,16,18-octaen-10-amine;N,N,11,17-tetraphenyl-5-oxa-25-thia-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,8.012,27.018,26.019,24]heptacosa-2,4(8),6,9,12(27),13,15,18(26),19,21,23-undecaen-14-amine
CID 165039735

Frequently Asked Questions

What is the IUPAC name of 15,24-ditert-butyl-12,18,21,27-tetrakis(4-tert-butylphenyl)-3,29-dithia-12,18,21,27-tetraza-1,5-diboradecacyclo[20.14.1.15,13.02,20.04,19.06,11.026,37.028,36.030,35.017,38]octatriaconta-2(20),4(19),6,8,10,13(38),14,16,22(37),23,25,28(36),30,32,34-pentadecaene;15,24-ditert-butyl-12,18,21,27-tetrakis(4-tert-butylphenyl)-3-thia-12,18,21,27-tetraza-1,5-diboranonacyclo[20.11.1.15,13.02,20.04,19.06,11.026,34.028,33.017,35]pentatriaconta-2(20),4(19),6,8,10,13(35),14,16,22,24,26(34),28,30,32-tetradecaene;15-N,15-N,24-N,24-N,12,18,21,27-octakis-phenyl-3,29-dithia-12,18,21,27-tetraza-1,5-diboradecacyclo[20.14.1.15,13.02,20.04,19.06,11.026,37.028,36.030,35.017,38]octatriaconta-2(20),4(19),6,8,10,13(38),14,16,22(37),23,25,28(36),30,32,34-pentadecaene-15,24-diamine;15-N,15-N,24-N,24-N,12,18,21,27-octakis-phenyl-3-thia-12,18,21,27-tetraza-1,5-diboranonacyclo[20.11.1.15,13.02,20.04,19.06,11.026,34.028,33.017,35]pentatriaconta-2(20),4(19),6,8,10,13(35),14,16,22,24,26(34),28,30,32-tetradecaene-15,24-diamine;12,18,21,27-tetraphenyl-3,29-dithia-12,18,21,27-tetraza-1,5-diboradecacyclo[20.14.1.15,13.02,20.04,19.06,11.026,37.028,36.030,35.017,38]octatriaconta-2(20),4(19),6,8,10,13(38),14,16,22(37),23,25,28(36),30,32,34-pentadecaene;12,18,21,27-tetraphenyl-3-thia-12,18,21,27-tetraza-1,5-diboranonacyclo[20.11.1.15,13.02,20.04,19.06,11.026,34.028,33.017,35]pentatriaconta-2(20),4(19),6,8,10,13(35),14,16,22,24,26(34),28,30,32-tetradecaene?
The IUPAC name of 15,24-ditert-butyl-12,18,21,27-tetrakis(4-tert-butylphenyl)-3,29-dithia-12,18,21,27-tetraza-1,5-diboradecacyclo[20.14.1.15,13.02,20.04,19.06,11.026,37.028,36.030,35.017,38]octatriaconta-2(20),4(19),6,8,10,13(38),14,16,22(37),23,25,28(36),30,32,34-pentadecaene;15,24-ditert-butyl-12,18,21,27-tetrakis(4-tert-butylphenyl)-3-thia-12,18,21,27-tetraza-1,5-diboranonacyclo[20.11.1.15,13.02,20.04,19.06,11.026,34.028,33.017,35]pentatriaconta-2(20),4(19),6,8,10,13(35),14,16,22,24,26(34),28,30,32-tetradecaene;15-N,15-N,24-N,24-N,12,18,21,27-octakis-phenyl-3,29-dithia-12,18,21,27-tetraza-1,5-diboradecacyclo[20.14.1.15,13.02,20.04,19.06,11.026,37.028,36.030,35.017,38]octatriaconta-2(20),4(19),6,8,10,13(38),14,16,22(37),23,25,28(36),30,32,34-pentadecaene-15,24-diamine;15-N,15-N,24-N,24-N,12,18,21,27-octakis-phenyl-3-thia-12,18,21,27-tetraza-1,5-diboranonacyclo[20.11.1.15,13.02,20.04,19.06,11.026,34.028,33.017,35]pentatriaconta-2(20),4(19),6,8,10,13(35),14,16,22,24,26(34),28,30,32-tetradecaene-15,24-diamine;12,18,21,27-tetraphenyl-3,29-dithia-12,18,21,27-tetraza-1,5-diboradecacyclo[20.14.1.15,13.02,20.04,19.06,11.026,37.028,36.030,35.017,38]octatriaconta-2(20),4(19),6,8,10,13(38),14,16,22(37),23,25,28(36),30,32,34-pentadecaene;12,18,21,27-tetraphenyl-3-thia-12,18,21,27-tetraza-1,5-diboranonacyclo[20.11.1.15,13.02,20.04,19.06,11.026,34.028,33.017,35]pentatriaconta-2(20),4(19),6,8,10,13(35),14,16,22,24,26(34),28,30,32-tetradecaene (CID 163558784) is 15,24-ditert-butyl-12,18,21,27-tetrakis(4-tert-butylphenyl)-3,29-dithia-12,18,21,27-tetraza-1,5-diboradecacyclo[20.14.1.15,13.02,20.04,19.06,11.026,37.028,36.030,35.017,38]octatriaconta-2(20),4(19),6,8,10,13(38),14,16,22(37),23,25,28(36),30,32,34-pentadecaene;15,24-ditert-butyl-12,18,21,27-tetrakis(4-tert-butylphenyl)-3-thia-12,18,21,27-tetraza-1,5-diboranonacyclo[20.11.1.15,13.02,20.04,19.06,11.026,34.028,33.017,35]pentatriaconta-2(20),4(19),6,8,10,13(35),14,16,22,24,26(34),28,30,32-tetradecaene;15-N,15-N,24-N,24-N,12,18,21,27-octakis-phenyl-3,29-dithia-12,18,21,27-tetraza-1,5-diboradecacyclo[20.14.1.15,13.02,20.04,19.06,11.026,37.028,36.030,35.017,38]octatriaconta-2(20),4(19),6,8,10,13(38),14,16,22(37),23,25,28(36),30,32,34-pentadecaene-15,24-diamine;15-N,15-N,24-N,24-N,12,18,21,27-octakis-phenyl-3-thia-12,18,21,27-tetraza-1,5-diboranonacyclo[20.11.1.15,13.02,20.04,19.06,11.026,34.028,33.017,35]pentatriaconta-2(20),4(19),6,8,10,13(35),14,16,22,24,26(34),28,30,32-tetradecaene-15,24-diamine;12,18,21,27-tetraphenyl-3,29-dithia-12,18,21,27-tetraza-1,5-diboradecacyclo[20.14.1.15,13.02,20.04,19.06,11.026,37.028,36.030,35.017,38]octatriaconta-2(20),4(19),6,8,10,13(38),14,16,22(37),23,25,28(36),30,32,34-pentadecaene;12,18,21,27-tetraphenyl-3-thia-12,18,21,27-tetraza-1,5-diboranonacyclo[20.11.1.15,13.02,20.04,19.06,11.026,34.028,33.017,35]pentatriaconta-2(20),4(19),6,8,10,13(35),14,16,22,24,26(34),28,30,32-tetradecaene.
What is the SMILES notation for 15,24-ditert-butyl-12,18,21,27-tetrakis(4-tert-butylphenyl)-3,29-dithia-12,18,21,27-tetraza-1,5-diboradecacyclo[20.14.1.15,13.02,20.04,19.06,11.026,37.028,36.030,35.017,38]octatriaconta-2(20),4(19),6,8,10,13(38),14,16,22(37),23,25,28(36),30,32,34-pentadecaene;15,24-ditert-butyl-12,18,21,27-tetrakis(4-tert-butylphenyl)-3-thia-12,18,21,27-tetraza-1,5-diboranonacyclo[20.11.1.15,13.02,20.04,19.06,11.026,34.028,33.017,35]pentatriaconta-2(20),4(19),6,8,10,13(35),14,16,22,24,26(34),28,30,32-tetradecaene;15-N,15-N,24-N,24-N,12,18,21,27-octakis-phenyl-3,29-dithia-12,18,21,27-tetraza-1,5-diboradecacyclo[20.14.1.15,13.02,20.04,19.06,11.026,37.028,36.030,35.017,38]octatriaconta-2(20),4(19),6,8,10,13(38),14,16,22(37),23,25,28(36),30,32,34-pentadecaene-15,24-diamine;15-N,15-N,24-N,24-N,12,18,21,27-octakis-phenyl-3-thia-12,18,21,27-tetraza-1,5-diboranonacyclo[20.11.1.15,13.02,20.04,19.06,11.026,34.028,33.017,35]pentatriaconta-2(20),4(19),6,8,10,13(35),14,16,22,24,26(34),28,30,32-tetradecaene-15,24-diamine;12,18,21,27-tetraphenyl-3,29-dithia-12,18,21,27-tetraza-1,5-diboradecacyclo[20.14.1.15,13.02,20.04,19.06,11.026,37.028,36.030,35.017,38]octatriaconta-2(20),4(19),6,8,10,13(38),14,16,22(37),23,25,28(36),30,32,34-pentadecaene;12,18,21,27-tetraphenyl-3-thia-12,18,21,27-tetraza-1,5-diboranonacyclo[20.11.1.15,13.02,20.04,19.06,11.026,34.028,33.017,35]pentatriaconta-2(20),4(19),6,8,10,13(35),14,16,22,24,26(34),28,30,32-tetradecaene?
The canonical SMILES for 15,24-ditert-butyl-12,18,21,27-tetrakis(4-tert-butylphenyl)-3,29-dithia-12,18,21,27-tetraza-1,5-diboradecacyclo[20.14.1.15,13.02,20.04,19.06,11.026,37.028,36.030,35.017,38]octatriaconta-2(20),4(19),6,8,10,13(38),14,16,22(37),23,25,28(36),30,32,34-pentadecaene;15,24-ditert-butyl-12,18,21,27-tetrakis(4-tert-butylphenyl)-3-thia-12,18,21,27-tetraza-1,5-diboranonacyclo[20.11.1.15,13.02,20.04,19.06,11.026,34.028,33.017,35]pentatriaconta-2(20),4(19),6,8,10,13(35),14,16,22,24,26(34),28,30,32-tetradecaene;15-N,15-N,24-N,24-N,12,18,21,27-octakis-phenyl-3,29-dithia-12,18,21,27-tetraza-1,5-diboradecacyclo[20.14.1.15,13.02,20.04,19.06,11.026,37.028,36.030,35.017,38]octatriaconta-2(20),4(19),6,8,10,13(38),14,16,22(37),23,25,28(36),30,32,34-pentadecaene-15,24-diamine;15-N,15-N,24-N,24-N,12,18,21,27-octakis-phenyl-3-thia-12,18,21,27-tetraza-1,5-diboranonacyclo[20.11.1.15,13.02,20.04,19.06,11.026,34.028,33.017,35]pentatriaconta-2(20),4(19),6,8,10,13(35),14,16,22,24,26(34),28,30,32-tetradecaene-15,24-diamine;12,18,21,27-tetraphenyl-3,29-dithia-12,18,21,27-tetraza-1,5-diboradecacyclo[20.14.1.15,13.02,20.04,19.06,11.026,37.028,36.030,35.017,38]octatriaconta-2(20),4(19),6,8,10,13(38),14,16,22(37),23,25,28(36),30,32,34-pentadecaene;12,18,21,27-tetraphenyl-3-thia-12,18,21,27-tetraza-1,5-diboranonacyclo[20.11.1.15,13.02,20.04,19.06,11.026,34.028,33.017,35]pentatriaconta-2(20),4(19),6,8,10,13(35),14,16,22,24,26(34),28,30,32-tetradecaene is CC(C)(C)c1ccc(N2c3ccccc3B3c4sc5c(c4N(c4ccc(C(C)(C)C)cc4)c4cc(C(C)(C)C)cc2c43)N(c2ccc(C(C)(C)C)cc2)c2cc(C(C)(C)C)cc3c2B5c2c(sc4ccccc24)N3c2ccc(C(C)(C)C)cc2)cc1.CC(C)(C)c1ccc(N2c3ccccc3B3c4sc5c(c4N(c4ccc(C(C)(C)C)cc4)c4cc(C(C)(C)C)cc2c43)N(c2ccc(C(C)(C)C)cc2)c2cc(C(C)(C)C)cc3c2B5c2ccccc2N3c2ccc(C(C)(C)C)cc2)cc1.c1ccc(N(c2ccccc2)c2cc3c4c(c2)N(c2ccccc2)c2c(sc5c2N(c2ccccc2)c2cc(N(c6ccccc6)c6ccccc6)cc6c2B5c2c(sc5ccccc25)N6c2ccccc2)B4c2ccccc2N3c2ccccc2)cc1.c1ccc(N(c2ccccc2)c2cc3c4c(c2)N(c2ccccc2)c2c(sc5c2N(c2ccccc2)c2cc(N(c6ccccc6)c6ccccc6)cc6c2B5c2ccccc2N6c2ccccc2)B4c2ccccc2N3c2ccccc2)cc1.c1ccc(N2c3ccccc3B3c4sc5c(c4N(c4ccccc4)c4cccc2c43)N(c2ccccc2)c2cccc3c2B5c2c(sc4ccccc24)N3c2ccccc2)cc1.c1ccc(N2c3ccccc3B3c4sc5c(c4N(c4ccccc4)c4cccc2c43)N(c2ccccc2)c2cccc3c2B5c2ccccc2N3c2ccccc2)cc1.
What is the InChIKey of 15,24-ditert-butyl-12,18,21,27-tetrakis(4-tert-butylphenyl)-3,29-dithia-12,18,21,27-tetraza-1,5-diboradecacyclo[20.14.1.15,13.02,20.04,19.06,11.026,37.028,36.030,35.017,38]octatriaconta-2(20),4(19),6,8,10,13(38),14,16,22(37),23,25,28(36),30,32,34-pentadecaene;15,24-ditert-butyl-12,18,21,27-tetrakis(4-tert-butylphenyl)-3-thia-12,18,21,27-tetraza-1,5-diboranonacyclo[20.11.1.15,13.02,20.04,19.06,11.026,34.028,33.017,35]pentatriaconta-2(20),4(19),6,8,10,13(35),14,16,22,24,26(34),28,30,32-tetradecaene;15-N,15-N,24-N,24-N,12,18,21,27-octakis-phenyl-3,29-dithia-12,18,21,27-tetraza-1,5-diboradecacyclo[20.14.1.15,13.02,20.04,19.06,11.026,37.028,36.030,35.017,38]octatriaconta-2(20),4(19),6,8,10,13(38),14,16,22(37),23,25,28(36),30,32,34-pentadecaene-15,24-diamine;15-N,15-N,24-N,24-N,12,18,21,27-octakis-phenyl-3-thia-12,18,21,27-tetraza-1,5-diboranonacyclo[20.11.1.15,13.02,20.04,19.06,11.026,34.028,33.017,35]pentatriaconta-2(20),4(19),6,8,10,13(35),14,16,22,24,26(34),28,30,32-tetradecaene-15,24-diamine;12,18,21,27-tetraphenyl-3,29-dithia-12,18,21,27-tetraza-1,5-diboradecacyclo[20.14.1.15,13.02,20.04,19.06,11.026,37.028,36.030,35.017,38]octatriaconta-2(20),4(19),6,8,10,13(38),14,16,22(37),23,25,28(36),30,32,34-pentadecaene;12,18,21,27-tetraphenyl-3-thia-12,18,21,27-tetraza-1,5-diboranonacyclo[20.11.1.15,13.02,20.04,19.06,11.026,34.028,33.017,35]pentatriaconta-2(20),4(19),6,8,10,13(35),14,16,22,24,26(34),28,30,32-tetradecaene?
The InChIKey is FPKCOZNBMFZWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H52B2N6S2.C78H82B2N4S2.C76H52B2N6S.C76H82B2N4S.C54H34B2N4S2.C52H34B2N4S/c1-9-29-53(30-10-1)81(54-31-11-2-12-32-54)61-49-66-72-67(50-61)84(58-39-19-6-20-40-58)74-75-77(88-76(74)79(72)64-46-26-27-47-65(64)83(66)57-37-17-5-18-38-57)80-71-63-45-25-28-48-70(63)87-78(71)86(60-43-23-8-24-44-60)69-52-62(51-68(73(69)80)85(75)59-41-21-7-22-42-59)82(55-33-13-3-14-34-55)56-35-15-4-16-36-56;1-73(2,3)47-27-35-53(36-28-47)81-59-25-21-20-24-58(59)79-66-60(81)43-51(77(13,14)15)44-61(66)82(54-37-29-48(30-38-54)74(4,5)6)68-69-71(86-70(68)79)80-65-57-23-19-22-26-64(57)85-72(65)84(56-41-33-50(34-42-56)76(10,11)12)63-46-52(78(16,17)18)45-62(67(63)80)83(69)55-39-31-49(32-40-55)75(7,8)9;1-9-29-53(30-10-1)79(54-31-11-2-12-32-54)61-49-67-71-69(51-61)83(59-41-21-7-22-42-59)73-74-76(85-75(73)77(71)63-45-25-27-47-65(63)81(67)57-37-17-5-18-38-57)78-64-46-26-28-48-66(64)82(58-39-19-6-20-40-58)68-50-62(52-70(72(68)78)84(74)60-43-23-8-24-44-60)80(55-33-13-3-14-34-55)56-35-15-4-16-36-56;1-71(2,3)47-27-35-53(36-28-47)79-59-25-21-19-23-57(59)77-65-61(79)43-51(75(13,14)15)45-63(65)81(55-39-31-49(32-40-55)73(7,8)9)67-68-70(83-69(67)77)78-58-24-20-22-26-60(58)80(54-37-29-48(30-38-54)72(4,5)6)62-44-52(76(16,17)18)46-64(66(62)78)82(68)56-41-33-50(34-42-56)74(10,11)12;1-5-19-35(20-6-1)57-41-29-15-14-28-40(41)55-48-42(57)30-17-31-43(48)58(36-21-7-2-8-22-36)50-51-53(62-52(50)55)56-47-39-27-13-16-34-46(39)61-54(47)60(38-25-11-4-12-26-38)45-33-18-32-44(49(45)56)59(51)37-23-9-3-10-24-37;1-5-19-35(20-6-1)55-41-29-15-13-27-39(41)53-47-43(55)31-17-33-45(47)57(37-23-9-3-10-24-37)49-50-52(59-51(49)53)54-40-28-14-16-30-42(40)56(36-21-7-2-8-22-36)44-32-18-34-46(48(44)54)58(50)38-25-11-4-12-26-38/h1-52H;19-46H,1-18H3;1-52H;19-46H,1-18H3;1-34H;1-34H.
What are the key properties of 15,24-ditert-butyl-12,18,21,27-tetrakis(4-tert-butylphenyl)-3,29-dithia-12,18,21,27-tetraza-1,5-diboradecacyclo[20.14.1.15,13.02,20.04,19.06,11.026,37.028,36.030,35.017,38]octatriaconta-2(20),4(19),6,8,10,13(38),14,16,22(37),23,25,28(36),30,32,34-pentadecaene;15,24-ditert-butyl-12,18,21,27-tetrakis(4-tert-butylphenyl)-3-thia-12,18,21,27-tetraza-1,5-diboranonacyclo[20.11.1.15,13.02,20.04,19.06,11.026,34.028,33.017,35]pentatriaconta-2(20),4(19),6,8,10,13(35),14,16,22,24,26(34),28,30,32-tetradecaene;15-N,15-N,24-N,24-N,12,18,21,27-octakis-phenyl-3,29-dithia-12,18,21,27-tetraza-1,5-diboradecacyclo[20.14.1.15,13.02,20.04,19.06,11.026,37.028,36.030,35.017,38]octatriaconta-2(20),4(19),6,8,10,13(38),14,16,22(37),23,25,28(36),30,32,34-pentadecaene-15,24-diamine;15-N,15-N,24-N,24-N,12,18,21,27-octakis-phenyl-3-thia-12,18,21,27-tetraza-1,5-diboranonacyclo[20.11.1.15,13.02,20.04,19.06,11.026,34.028,33.017,35]pentatriaconta-2(20),4(19),6,8,10,13(35),14,16,22,24,26(34),28,30,32-tetradecaene-15,24-diamine;12,18,21,27-tetraphenyl-3,29-dithia-12,18,21,27-tetraza-1,5-diboradecacyclo[20.14.1.15,13.02,20.04,19.06,11.026,37.028,36.030,35.017,38]octatriaconta-2(20),4(19),6,8,10,13(38),14,16,22(37),23,25,28(36),30,32,34-pentadecaene;12,18,21,27-tetraphenyl-3-thia-12,18,21,27-tetraza-1,5-diboranonacyclo[20.11.1.15,13.02,20.04,19.06,11.026,34.028,33.017,35]pentatriaconta-2(20),4(19),6,8,10,13(35),14,16,22,24,26(34),28,30,32-tetradecaene?
15,24-ditert-butyl-12,18,21,27-tetrakis(4-tert-butylphenyl)-3,29-dithia-12,18,21,27-tetraza-1,5-diboradecacyclo[20.14.1.15,13.02,20.04,19.06,11.026,37.028,36.030,35.017,38]octatriaconta-2(20),4(19),6,8,10,13(38),14,16,22(37),23,25,28(36),30,32,34-pentadecaene;15,24-ditert-butyl-12,18,21,27-tetrakis(4-tert-butylphenyl)-3-thia-12,18,21,27-tetraza-1,5-diboranonacyclo[20.11.1.15,13.02,20.04,19.06,11.026,34.028,33.017,35]pentatriaconta-2(20),4(19),6,8,10,13(35),14,16,22,24,26(34),28,30,32-tetradecaene;15-N,15-N,24-N,24-N,12,18,21,27-octakis-phenyl-3,29-dithia-12,18,21,27-tetraza-1,5-diboradecacyclo[20.14.1.15,13.02,20.04,19.06,11.026,37.028,36.030,35.017,38]octatriaconta-2(20),4(19),6,8,10,13(38),14,16,22(37),23,25,28(36),30,32,34-pentadecaene-15,24-diamine;15-N,15-N,24-N,24-N,12,18,21,27-octakis-phenyl-3-thia-12,18,21,27-tetraza-1,5-diboranonacyclo[20.11.1.15,13.02,20.04,19.06,11.026,34.028,33.017,35]pentatriaconta-2(20),4(19),6,8,10,13(35),14,16,22,24,26(34),28,30,32-tetradecaene-15,24-diamine;12,18,21,27-tetraphenyl-3,29-dithia-12,18,21,27-tetraza-1,5-diboradecacyclo[20.14.1.15,13.02,20.04,19.06,11.026,37.028,36.030,35.017,38]octatriaconta-2(20),4(19),6,8,10,13(38),14,16,22(37),23,25,28(36),30,32,34-pentadecaene;12,18,21,27-tetraphenyl-3-thia-12,18,21,27-tetraza-1,5-diboranonacyclo[20.11.1.15,13.02,20.04,19.06,11.026,34.028,33.017,35]pentatriaconta-2(20),4(19),6,8,10,13(35),14,16,22,24,26(34),28,30,32-tetradecaene has a molecular weight of 6121.79 g/mol, XLogP of 92.57, 36 rotatable bonds, 0 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 15,24-ditert-butyl-12,18,21,27-tetrakis(4-tert-butylphenyl)-3,29-dithia-12,18,21,27-tetraza-1,5-diboradecacyclo[20.14.1.15,13.02,20.04,19.06,11.026,37.028,36.030,35.017,38]octatriaconta-2(20),4(19),6,8,10,13(38),14,16,22(37),23,25,28(36),30,32,34-pentadecaene;15,24-ditert-butyl-12,18,21,27-tetrakis(4-tert-butylphenyl)-3-thia-12,18,21,27-tetraza-1,5-diboranonacyclo[20.11.1.15,13.02,20.04,19.06,11.026,34.028,33.017,35]pentatriaconta-2(20),4(19),6,8,10,13(35),14,16,22,24,26(34),28,30,32-tetradecaene;15-N,15-N,24-N,24-N,12,18,21,27-octakis-phenyl-3,29-dithia-12,18,21,27-tetraza-1,5-diboradecacyclo[20.14.1.15,13.02,20.04,19.06,11.026,37.028,36.030,35.017,38]octatriaconta-2(20),4(19),6,8,10,13(38),14,16,22(37),23,25,28(36),30,32,34-pentadecaene-15,24-diamine;15-N,15-N,24-N,24-N,12,18,21,27-octakis-phenyl-3-thia-12,18,21,27-tetraza-1,5-diboranonacyclo[20.11.1.15,13.02,20.04,19.06,11.026,34.028,33.017,35]pentatriaconta-2(20),4(19),6,8,10,13(35),14,16,22,24,26(34),28,30,32-tetradecaene-15,24-diamine;12,18,21,27-tetraphenyl-3,29-dithia-12,18,21,27-tetraza-1,5-diboradecacyclo[20.14.1.15,13.02,20.04,19.06,11.026,37.028,36.030,35.017,38]octatriaconta-2(20),4(19),6,8,10,13(38),14,16,22(37),23,25,28(36),30,32,34-pentadecaene;12,18,21,27-tetraphenyl-3-thia-12,18,21,27-tetraza-1,5-diboranonacyclo[20.11.1.15,13.02,20.04,19.06,11.026,34.028,33.017,35]pentatriaconta-2(20),4(19),6,8,10,13(35),14,16,22,24,26(34),28,30,32-tetradecaene is sourced from PubChem (CID 163558784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).