9,31-ditert-butyl-18-(4-tert-butylphenyl)-15,25-di(carbazol-9-yl)-22-(2,6-diphenylphenyl)-12,28-dioxa-18,22-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(11),7,9,13,15,17(36),19,23(35),24,26,29(34),30,32-pentadecaene;9,31-ditert-butyl-18-(4-tert-butylphenyl)-22-(2,6-diphenylphenyl)-15,25-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-12,28-dioxa-18,22-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(11),7,9,13,15,17(36),19,23(35),24,26,29(34),30,32-pentadecaene;25-(2,7-ditert-butylcarbazol-9-yl)-18-(2,6-diphenylphenyl)-N,N,22-triphenyl-12,28-dioxa-18,22-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),6,8,10,13,15,17(36),20,23(35),24,26,29,31,33-pentadecaen-15-amine;25-(3,6-ditert-butylcarbazol-9-yl)-18-(2,6-diphenylphenyl)-N,N,22-triphenyl-12,28-dioxa-18,22-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),6,8,10,13,15,17(36),20,23(35),24,26,29,31,33-pentadecaen-15-amine;18-(2,6-diphenylphenyl)-25-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-N,N,22-triphenyl-12,28-dioxa-18,22-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),6,8,10,13,15,17(36),20,23(35),24,26,29,31,33-pentadecaen-15-amine

C430H326B10N20O10 — CID 165046420

IUPAC9,31-ditert-butyl-18-(4-tert-butylphenyl)-15,25-di(carbazol-9-yl)-22-(2,6-diphenylphenyl)-12,28-dioxa-18,22-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(11),7,9,13,15,17(36),19,23(35),24,26,29(34),30,32-pentadecaene;9,31-ditert-butyl-18-(4-tert-butylphenyl)-22-(2,6-diphenylphenyl)-15,25-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-12,28-dioxa-18,22-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(11),7,9,13,15,17(36),19,23(35),24,26,29(34),30,32-pentadecaene;25-(2,7-ditert-butylcarbazol-9-yl)-18-(2,6-diphenylphenyl)-N,N,22-triphenyl-12,28-dioxa-18,22-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),6,8,10,13,15,17(36),20,23(35),24,26,29,31,33-pentadecaen-15-amine;25-(3,6-ditert-butylcarbazol-9-yl)-18-(2,6-diphenylphenyl)-N,N,22-triphenyl-12,28-dioxa-18,22-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),6,8,10,13,15,17(36),20,23(35),24,26,29,31,33-pentadecaen-15-amine;18-(2,6-diphenylphenyl)-25-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-N,N,22-triphenyl-12,28-dioxa-18,22-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),6,8,10,13,15,17(36),20,23(35),24,26,29,31,33-pentadecaen-15-amine
SMILESCC(C)(C)c1ccc(N2c3cc4c(cc3B3c5ccc(C(C)(C)C)cc5Oc5cc(-n6c7ccccc7c7ccccc76)cc2c53)B2c3ccc(C(C)(C)C)cc3Oc3cc(-n5c6ccccc6c6ccccc65)cc(c32)N4c2c(-c3ccccc3)cccc2-c2ccccc2)cc1.CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cc2c3c(c1)N(c1ccccc1)c1cc4c(cc1B3c1ccccc1O2)B1c2ccccc2Oc2cc(N(c3ccccc3)c3ccccc3)cc(c21)N4c1c(-c2ccccc2)cccc1-c1ccccc1.CC(C)(C)c1ccc2c3ccc(C(C)(C)C)cc3n(-c3cc4c5c(c3)N(c3ccccc3)c3cc6c(cc3B5c3ccccc3O4)B3c4ccccc4Oc4cc(N(c5ccccc5)c5ccccc5)cc(c43)N6c3c(-c4ccccc4)cccc3-c3ccccc3)c2c1.[2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2-c1cc2c3c(c1)N(c1ccc(C(C)(C)C)cc1)c1cc4c(cc1B3c1ccc(C(C)(C)C)cc1O2)B1c2ccc(C(C)(C)C)cc2Oc2cc(-n3c5c([2H])c([2H])c([2H])c([2H])c5c5c([2H])c([2H])c([2H])c([2H])c53)cc(c21)N4c1c(-c2ccccc2)cccc1-c1ccccc1.[2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2-c1cc2c3c(c1)N(c1ccccc1)c1cc4c(cc1B3c1ccccc1O2)B1c2ccccc2Oc2cc(N(c3ccccc3)c3ccccc3)cc(c21)N4c1c(-c2ccccc2)cccc1-c1ccccc1
InChIInChI=1S/2C90H72B2N4O2.2C86H66B2N4O2.C78H50B2N4O2/c2*1-88(2,3)57-39-43-60(44-40-57)93-77-54-78-72(53-71(77)91-69-45-41-58(89(4,5)6)47-81(69)97-83-51-61(49-79(93)85(83)91)94-73-35-20-16-29-65(73)66-30-17-21-36-74(66)94)92-70-46-42-59(90(7,8)9)48-82(70)98-84-52-62(95-75-37-22-18-31-67(75)68-32-19-23-38-76(68)95)50-80(86(84)92)96(78)87-63(55-25-12-10-13-26-55)33-24-34-64(87)56-27-14-11-15-28-56;1-85(2,3)57-43-45-72-66(47-57)67-48-58(86(4,5)6)44-46-73(67)91(72)63-50-76-82-81(52-63)94-78-41-24-22-39-68(78)87(82)70-53-71-75(54-74(70)90(76)61-35-20-11-21-36-61)92(84-64(55-27-12-7-13-28-55)37-26-38-65(84)56-29-14-8-15-30-56)77-49-62(51-80-83(77)88(71)69-40-23-25-42-79(69)93-80)89(59-31-16-9-17-32-59)60-33-18-10-19-34-60;1-85(2,3)57-43-45-66-67-46-44-58(86(4,5)6)48-73(67)91(72(66)47-57)63-50-76-82-81(52-63)94-78-41-24-22-39-68(78)87(82)70-53-71-75(54-74(70)90(76)61-35-20-11-21-36-61)92(84-64(55-27-12-7-13-28-55)37-26-38-65(84)56-29-14-8-15-30-56)77-49-62(51-80-83(77)88(71)69-40-23-25-42-79(69)93-80)89(59-31-16-9-17-32-59)60-33-18-10-19-34-60;1-6-25-51(26-7-1)58-37-24-38-59(52-27-8-2-9-28-52)78(58)84-69-50-68-64(49-65(69)80-63-40-19-23-44-73(63)85-74-47-56(45-71(84)77(74)80)81(53-29-10-3-11-30-53)54-31-12-4-13-32-54)79-62-39-18-22-43-72(62)86-75-48-57(46-70(76(75)79)82(68)55-33-14-5-15-34-55)83-66-41-20-16-35-60(66)61-36-17-21-42-67(61)83/h2*10-54H,1-9H3;2*7-54H,1-6H3;1-50H/i16D,17D,18D,19D,20D,21D,22D,23D,29D,30D,31D,32D,35D,36D,37D,38D;;;;16D,17D,20D,21D,35D,36D,41D,42D
InChIKeyOYZLHCPBDBVGMQ-BMTUZMQLSA-N
MW6065.73 g/mol
LogP94.22
Rot. Bonds36

About 9,31-ditert-butyl-18-(4-tert-butylphenyl)-15,25-di(carbazol-9-yl)-22-(2,6-diphenylphenyl)-12,28-dioxa-18,22-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(11),7,9,13,15,17(36),19,23(35),24,26,29(34),30,32-pentadecaene;9,31-ditert-butyl-18-(4-tert-butylphenyl)-22-(2,6-diphenylphenyl)-15,25-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-12,28-dioxa-18,22-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(11),7,9,13,15,17(36),19,23(35),24,26,29(34),30,32-pentadecaene;25-(2,7-ditert-butylcarbazol-9-yl)-18-(2,6-diphenylphenyl)-N,N,22-triphenyl-12,28-dioxa-18,22-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),6,8,10,13,15,17(36),20,23(35),24,26,29,31,33-pentadecaen-15-amine;25-(3,6-ditert-butylcarbazol-9-yl)-18-(2,6-diphenylphenyl)-N,N,22-triphenyl-12,28-dioxa-18,22-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),6,8,10,13,15,17(36),20,23(35),24,26,29,31,33-pentadecaen-15-amine;18-(2,6-diphenylphenyl)-25-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-N,N,22-triphenyl-12,28-dioxa-18,22-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),6,8,10,13,15,17(36),20,23(35),24,26,29,31,33-pentadecaen-15-amine

9,31-ditert-butyl-18-(4-tert-butylphenyl)-15,25-di(carbazol-9-yl)-22-(2,6-diphenylphenyl)-12,28-dioxa-18,22-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(11),7,9,13,15,17(36),19,23(35),24,26,29(34),30,32-pentadecaene;9,31-ditert-butyl-18-(4-tert-butylphenyl)-22-(2,6-diphenylphenyl)-15,25-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-12,28-dioxa-18,22-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(11),7,9,13,15,17(36),19,23(35),24,26,29(34),30,32-pentadecaene;25-(2,7-ditert-butylcarbazol-9-yl)-18-(2,6-diphenylphenyl)-N,N,22-triphenyl-12,28-dioxa-18,22-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),6,8,10,13,15,17(36),20,23(35),24,26,29,31,33-pentadecaen-15-amine;25-(3,6-ditert-butylcarbazol-9-yl)-18-(2,6-diphenylphenyl)-N,N,22-triphenyl-12,28-dioxa-18,22-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),6,8,10,13,15,17(36),20,23(35),24,26,29,31,33-pentadecaen-15-amine;18-(2,6-diphenylphenyl)-25-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-N,N,22-triphenyl-12,28-dioxa-18,22-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),6,8,10,13,15,17(36),20,23(35),24,26,29,31,33-pentadecaen-15-amine (PubChem CID 165046420) has the molecular formula C430H326B10N20O10 and a molecular weight of 6065.73 g/mol. Its IUPAC name is 9,31-ditert-butyl-18-(4-tert-butylphenyl)-15,25-di(carbazol-9-yl)-22-(2,6-diphenylphenyl)-12,28-dioxa-18,22-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(11),7,9,13,15,17(36),19,23(35),24,26,29(34),30,32-pentadecaene;9,31-ditert-butyl-18-(4-tert-butylphenyl)-22-(2,6-diphenylphenyl)-15,25-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-12,28-dioxa-18,22-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(11),7,9,13,15,17(36),19,23(35),24,26,29(34),30,32-pentadecaene;25-(2,7-ditert-butylcarbazol-9-yl)-18-(2,6-diphenylphenyl)-N,N,22-triphenyl-12,28-dioxa-18,22-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),6,8,10,13,15,17(36),20,23(35),24,26,29,31,33-pentadecaen-15-amine;25-(3,6-ditert-butylcarbazol-9-yl)-18-(2,6-diphenylphenyl)-N,N,22-triphenyl-12,28-dioxa-18,22-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),6,8,10,13,15,17(36),20,23(35),24,26,29,31,33-pentadecaen-15-amine;18-(2,6-diphenylphenyl)-25-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-N,N,22-triphenyl-12,28-dioxa-18,22-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),6,8,10,13,15,17(36),20,23(35),24,26,29,31,33-pentadecaen-15-amine.

Molecular Properties

Compound Name9,31-ditert-butyl-18-(4-tert-butylphenyl)-15,25-di(carbazol-9-yl)-22-(2,6-diphenylphenyl)-12,28-dioxa-18,22-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(11),7,9,13,15,17(36),19,23(35),24,26,29(34),30,32-pentadecaene;9,31-ditert-butyl-18-(4-tert-butylphenyl)-22-(2,6-diphenylphenyl)-15,25-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-12,28-dioxa-18,22-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(11),7,9,13,15,17(36),19,23(35),24,26,29(34),30,32-pentadecaene;25-(2,7-ditert-butylcarbazol-9-yl)-18-(2,6-diphenylphenyl)-N,N,22-triphenyl-12,28-dioxa-18,22-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),6,8,10,13,15,17(36),20,23(35),24,26,29,31,33-pentadecaen-15-amine;25-(3,6-ditert-butylcarbazol-9-yl)-18-(2,6-diphenylphenyl)-N,N,22-triphenyl-12,28-dioxa-18,22-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),6,8,10,13,15,17(36),20,23(35),24,26,29,31,33-pentadecaen-15-amine;18-(2,6-diphenylphenyl)-25-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-N,N,22-triphenyl-12,28-dioxa-18,22-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),6,8,10,13,15,17(36),20,23(35),24,26,29,31,33-pentadecaen-15-amine
PubChem CID165046420
Molecular FormulaC430H326B10N20O10
Molecular Weight6065.73 g/mol
Exact Mass6062.81
IUPAC Name9,31-ditert-butyl-18-(4-tert-butylphenyl)-15,25-di(carbazol-9-yl)-22-(2,6-diphenylphenyl)-12,28-dioxa-18,22-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(11),7,9,13,15,17(36),19,23(35),24,26,29(34),30,32-pentadecaene;9,31-ditert-butyl-18-(4-tert-butylphenyl)-22-(2,6-diphenylphenyl)-15,25-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-12,28-dioxa-18,22-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(11),7,9,13,15,17(36),19,23(35),24,26,29(34),30,32-pentadecaene;25-(2,7-ditert-butylcarbazol-9-yl)-18-(2,6-diphenylphenyl)-N,N,22-triphenyl-12,28-dioxa-18,22-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),6,8,10,13,15,17(36),20,23(35),24,26,29,31,33-pentadecaen-15-amine;25-(3,6-ditert-butylcarbazol-9-yl)-18-(2,6-diphenylphenyl)-N,N,22-triphenyl-12,28-dioxa-18,22-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),6,8,10,13,15,17(36),20,23(35),24,26,29,31,33-pentadecaen-15-amine;18-(2,6-diphenylphenyl)-25-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-N,N,22-triphenyl-12,28-dioxa-18,22-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),6,8,10,13,15,17(36),20,23(35),24,26,29,31,33-pentadecaen-15-amine
SMILESCC(C)(C)c1ccc(N2c3cc4c(cc3B3c5ccc(C(C)(C)C)cc5Oc5cc(-n6c7ccccc7c7ccccc76)cc2c53)B2c3ccc(C(C)(C)C)cc3Oc3cc(-n5c6ccccc6c6ccccc65)cc(c32)N4c2c(-c3ccccc3)cccc2-c2ccccc2)cc1.CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cc2c3c(c1)N(c1ccccc1)c1cc4c(cc1B3c1ccccc1O2)B1c2ccccc2Oc2cc(N(c3ccccc3)c3ccccc3)cc(c21)N4c1c(-c2ccccc2)cccc1-c1ccccc1.CC(C)(C)c1ccc2c3ccc(C(C)(C)C)cc3n(-c3cc4c5c(c3)N(c3ccccc3)c3cc6c(cc3B5c3ccccc3O4)B3c4ccccc4Oc4cc(N(c5ccccc5)c5ccccc5)cc(c43)N6c3c(-c4ccccc4)cccc3-c3ccccc3)c2c1.[2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2-c1cc2c3c(c1)N(c1ccc(C(C)(C)C)cc1)c1cc4c(cc1B3c1ccc(C(C)(C)C)cc1O2)B1c2ccc(C(C)(C)C)cc2Oc2cc(-n3c5c([2H])c([2H])c([2H])c([2H])c5c5c([2H])c([2H])c([2H])c([2H])c53)cc(c21)N4c1c(-c2ccccc2)cccc1-c1ccccc1.[2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2-c1cc2c3c(c1)N(c1ccccc1)c1cc4c(cc1B3c1ccccc1O2)B1c2ccccc2Oc2cc(N(c3ccccc3)c3ccccc3)cc(c21)N4c1c(-c2ccccc2)cccc1-c1ccccc1
InChIInChI=1S/2C90H72B2N4O2.2C86H66B2N4O2.C78H50B2N4O2/c2*1-88(2,3)57-39-43-60(44-40-57)93-77-54-78-72(53-71(77)91-69-45-41-58(89(4,5)6)47-81(69)97-83-51-61(49-79(93)85(83)91)94-73-35-20-16-29-65(73)66-30-17-21-36-74(66)94)92-70-46-42-59(90(7,8)9)48-82(70)98-84-52-62(95-75-37-22-18-31-67(75)68-32-19-23-38-76(68)95)50-80(86(84)92)96(78)87-63(55-25-12-10-13-26-55)33-24-34-64(87)56-27-14-11-15-28-56;1-85(2,3)57-43-45-72-66(47-57)67-48-58(86(4,5)6)44-46-73(67)91(72)63-50-76-82-81(52-63)94-78-41-24-22-39-68(78)87(82)70-53-71-75(54-74(70)90(76)61-35-20-11-21-36-61)92(84-64(55-27-12-7-13-28-55)37-26-38-65(84)56-29-14-8-15-30-56)77-49-62(51-80-83(77)88(71)69-40-23-25-42-79(69)93-80)89(59-31-16-9-17-32-59)60-33-18-10-19-34-60;1-85(2,3)57-43-45-66-67-46-44-58(86(4,5)6)48-73(67)91(72(66)47-57)63-50-76-82-81(52-63)94-78-41-24-22-39-68(78)87(82)70-53-71-75(54-74(70)90(76)61-35-20-11-21-36-61)92(84-64(55-27-12-7-13-28-55)37-26-38-65(84)56-29-14-8-15-30-56)77-49-62(51-80-83(77)88(71)69-40-23-25-42-79(69)93-80)89(59-31-16-9-17-32-59)60-33-18-10-19-34-60;1-6-25-51(26-7-1)58-37-24-38-59(52-27-8-2-9-28-52)78(58)84-69-50-68-64(49-65(69)80-63-40-19-23-44-73(63)85-74-47-56(45-71(84)77(74)80)81(53-29-10-3-11-30-53)54-31-12-4-13-32-54)79-62-39-18-22-43-72(62)86-75-48-57(46-70(76(75)79)82(68)55-33-14-5-15-34-55)83-66-41-20-16-35-60(66)61-36-17-21-42-67(61)83/h2*10-54H,1-9H3;2*7-54H,1-6H3;1-50H/i16D,17D,18D,19D,20D,21D,22D,23D,29D,30D,31D,32D,35D,36D,37D,38D;;;;16D,17D,20D,21D,35D,36D,41D,42D
InChIKeyOYZLHCPBDBVGMQ-BMTUZMQLSA-N
XLogP94.22
TPSA168.93 Ų
H-Bond Donors
H-Bond Acceptors30
Rotatable Bonds36
Heavy Atoms470
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5006065.73
LogP ≤ 594.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1030

Analyze 9,31-ditert-butyl-18-(4-tert-butylphenyl)-15,25-di(carbazol-9-yl)-22-(2,6-diphenylphenyl)-12,28-dioxa-18,22-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(11),7,9,13,15,17(36),19,23(35),24,26,29(34),30,32-pentadecaene;9,31-ditert-butyl-18-(4-tert-butylphenyl)-22-(2,6-diphenylphenyl)-15,25-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-12,28-dioxa-18,22-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(11),7,9,13,15,17(36),19,23(35),24,26,29(34),30,32-pentadecaene;25-(2,7-ditert-butylcarbazol-9-yl)-18-(2,6-diphenylphenyl)-N,N,22-triphenyl-12,28-dioxa-18,22-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),6,8,10,13,15,17(36),20,23(35),24,26,29,31,33-pentadecaen-15-amine;25-(3,6-ditert-butylcarbazol-9-yl)-18-(2,6-diphenylphenyl)-N,N,22-triphenyl-12,28-dioxa-18,22-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),6,8,10,13,15,17(36),20,23(35),24,26,29,31,33-pentadecaen-15-amine;18-(2,6-diphenylphenyl)-25-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-N,N,22-triphenyl-12,28-dioxa-18,22-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),6,8,10,13,15,17(36),20,23(35),24,26,29,31,33-pentadecaen-15-amine with MolForge

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Related Compounds

15-(3,6-ditert-butylcarbazol-9-yl)-22-(2,6-diphenylphenyl)-N,N,9,28,31-pentakis-phenyl-12-(3-phenylphenyl)-18-oxa-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(11),7,9,13(36),14,16,20,23,25,27(35),29(34),30,32-pentadecaen-25-amine
CID 164732764
17-(3-tert-butylcarbazol-9-yl)-11-carbazol-9-yl-5-(3,6-ditert-butylcarbazol-9-yl)-14-(2,6-diphenylphenyl)-8-oxa-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
CID 169038304
15-carbazol-9-yl-22-(2,6-diphenylphenyl)-N,N,18,28-tetraphenyl-12-thia-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),20,23,25,27(35),29,31,33-pentadecaen-25-amine;15-carbazol-9-yl-N,N,18,28-tetraphenyl-22-(2-phenylphenyl)-12-thia-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),20,23,25,27(35),29,31,33-pentadecaen-25-amine;25-(2,7-ditert-butylcarbazol-9-yl)-N,22-diphenyl-N,18,28-tris(2-phenylphenyl)-12-thia-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-pentadecaen-15-amine;15-(3,6-ditert-butylcarbazol-9-yl)-N,18,28-triphenyl-N,22-bis(2-phenylphenyl)-12-thia-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),20,23,25,27(35),29,31,33-pentadecaen-25-amine;15-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-N,N,18,28-tetraphenyl-22-(2-phenylphenyl)-12-thia-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),20,23,25,27(35),29,31,33-pentadecaen-25-amine
CID 165000001
18-(2,6-diphenylphenyl)-15-N,15-N,25-N,25-N,22-pentakis-phenyl-12,28-dioxa-18,22-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),6,8,10,13,15,17(36),20,23(35),24,26,29,31,33-pentadecaene-15,25-diamine
CID 164732816
3-[11-(6-tert-butyl-1,2,3,4-tetradeuteriocarbazol-9-yl)-8,14-bis(2,6-diphenylphenyl)-18-[3-(N-phenylanilino)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-4-yl]-N,N-diphenylaniline
CID 169076576
22-(2,6-diphenylphenyl)-15-N,15-N,25-N,25-N,18,28-hexakis-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),20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine
CID 162704602
15-N,25-N,28-tris[2-(4-tert-butylphenyl)phenyl]-18-(2,6-diphenylphenyl)-15-N,25-N,22-triphenyl-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
CID 164937875
11-tert-butyl-5,17-di(carbazol-9-yl)-14-(2,6-diphenylphenyl)-8-oxa-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
CID 169038371
9,31-ditert-butyl-15,18,25-tris(4-tert-butylphenyl)-22-(2,6-diphenylphenyl)-12,28-dioxa-18,22-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(11),7,9,13,15,17(36),19,23(35),24,26,29(34),30,32-pentadecaene
CID 164733064
25-N,18-bis(2,6-diphenylphenyl)-15-N,15-N,25-N,22-tetraphenyl-12,28-dioxa-18,22-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),6,8,10,13,15,17(36),20,23(35),24,26,29,31,33-pentadecaene-15,25-diamine
CID 164733027
15,25-bis(2,7-ditert-butylcarbazol-9-yl)-22-(2,6-diphenylphenyl)-28-phenyl-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
CID 177116320
15-(3,6-ditert-butylcarbazol-9-yl)-22-(2,6-diphenylphenyl)-N,N,12,28-tetraphenyl-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-pentadecaen-25-amine
CID 164732983

Frequently Asked Questions

What is the IUPAC name of 9,31-ditert-butyl-18-(4-tert-butylphenyl)-15,25-di(carbazol-9-yl)-22-(2,6-diphenylphenyl)-12,28-dioxa-18,22-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(11),7,9,13,15,17(36),19,23(35),24,26,29(34),30,32-pentadecaene;9,31-ditert-butyl-18-(4-tert-butylphenyl)-22-(2,6-diphenylphenyl)-15,25-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-12,28-dioxa-18,22-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(11),7,9,13,15,17(36),19,23(35),24,26,29(34),30,32-pentadecaene;25-(2,7-ditert-butylcarbazol-9-yl)-18-(2,6-diphenylphenyl)-N,N,22-triphenyl-12,28-dioxa-18,22-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),6,8,10,13,15,17(36),20,23(35),24,26,29,31,33-pentadecaen-15-amine;25-(3,6-ditert-butylcarbazol-9-yl)-18-(2,6-diphenylphenyl)-N,N,22-triphenyl-12,28-dioxa-18,22-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),6,8,10,13,15,17(36),20,23(35),24,26,29,31,33-pentadecaen-15-amine;18-(2,6-diphenylphenyl)-25-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-N,N,22-triphenyl-12,28-dioxa-18,22-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),6,8,10,13,15,17(36),20,23(35),24,26,29,31,33-pentadecaen-15-amine?
The IUPAC name of 9,31-ditert-butyl-18-(4-tert-butylphenyl)-15,25-di(carbazol-9-yl)-22-(2,6-diphenylphenyl)-12,28-dioxa-18,22-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(11),7,9,13,15,17(36),19,23(35),24,26,29(34),30,32-pentadecaene;9,31-ditert-butyl-18-(4-tert-butylphenyl)-22-(2,6-diphenylphenyl)-15,25-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-12,28-dioxa-18,22-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(11),7,9,13,15,17(36),19,23(35),24,26,29(34),30,32-pentadecaene;25-(2,7-ditert-butylcarbazol-9-yl)-18-(2,6-diphenylphenyl)-N,N,22-triphenyl-12,28-dioxa-18,22-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),6,8,10,13,15,17(36),20,23(35),24,26,29,31,33-pentadecaen-15-amine;25-(3,6-ditert-butylcarbazol-9-yl)-18-(2,6-diphenylphenyl)-N,N,22-triphenyl-12,28-dioxa-18,22-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),6,8,10,13,15,17(36),20,23(35),24,26,29,31,33-pentadecaen-15-amine;18-(2,6-diphenylphenyl)-25-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-N,N,22-triphenyl-12,28-dioxa-18,22-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),6,8,10,13,15,17(36),20,23(35),24,26,29,31,33-pentadecaen-15-amine (CID 165046420) is 9,31-ditert-butyl-18-(4-tert-butylphenyl)-15,25-di(carbazol-9-yl)-22-(2,6-diphenylphenyl)-12,28-dioxa-18,22-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(11),7,9,13,15,17(36),19,23(35),24,26,29(34),30,32-pentadecaene;9,31-ditert-butyl-18-(4-tert-butylphenyl)-22-(2,6-diphenylphenyl)-15,25-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-12,28-dioxa-18,22-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(11),7,9,13,15,17(36),19,23(35),24,26,29(34),30,32-pentadecaene;25-(2,7-ditert-butylcarbazol-9-yl)-18-(2,6-diphenylphenyl)-N,N,22-triphenyl-12,28-dioxa-18,22-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),6,8,10,13,15,17(36),20,23(35),24,26,29,31,33-pentadecaen-15-amine;25-(3,6-ditert-butylcarbazol-9-yl)-18-(2,6-diphenylphenyl)-N,N,22-triphenyl-12,28-dioxa-18,22-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),6,8,10,13,15,17(36),20,23(35),24,26,29,31,33-pentadecaen-15-amine;18-(2,6-diphenylphenyl)-25-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-N,N,22-triphenyl-12,28-dioxa-18,22-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),6,8,10,13,15,17(36),20,23(35),24,26,29,31,33-pentadecaen-15-amine.
What is the SMILES notation for 9,31-ditert-butyl-18-(4-tert-butylphenyl)-15,25-di(carbazol-9-yl)-22-(2,6-diphenylphenyl)-12,28-dioxa-18,22-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(11),7,9,13,15,17(36),19,23(35),24,26,29(34),30,32-pentadecaene;9,31-ditert-butyl-18-(4-tert-butylphenyl)-22-(2,6-diphenylphenyl)-15,25-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-12,28-dioxa-18,22-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(11),7,9,13,15,17(36),19,23(35),24,26,29(34),30,32-pentadecaene;25-(2,7-ditert-butylcarbazol-9-yl)-18-(2,6-diphenylphenyl)-N,N,22-triphenyl-12,28-dioxa-18,22-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),6,8,10,13,15,17(36),20,23(35),24,26,29,31,33-pentadecaen-15-amine;25-(3,6-ditert-butylcarbazol-9-yl)-18-(2,6-diphenylphenyl)-N,N,22-triphenyl-12,28-dioxa-18,22-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),6,8,10,13,15,17(36),20,23(35),24,26,29,31,33-pentadecaen-15-amine;18-(2,6-diphenylphenyl)-25-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-N,N,22-triphenyl-12,28-dioxa-18,22-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),6,8,10,13,15,17(36),20,23(35),24,26,29,31,33-pentadecaen-15-amine?
The canonical SMILES for 9,31-ditert-butyl-18-(4-tert-butylphenyl)-15,25-di(carbazol-9-yl)-22-(2,6-diphenylphenyl)-12,28-dioxa-18,22-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(11),7,9,13,15,17(36),19,23(35),24,26,29(34),30,32-pentadecaene;9,31-ditert-butyl-18-(4-tert-butylphenyl)-22-(2,6-diphenylphenyl)-15,25-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-12,28-dioxa-18,22-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(11),7,9,13,15,17(36),19,23(35),24,26,29(34),30,32-pentadecaene;25-(2,7-ditert-butylcarbazol-9-yl)-18-(2,6-diphenylphenyl)-N,N,22-triphenyl-12,28-dioxa-18,22-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),6,8,10,13,15,17(36),20,23(35),24,26,29,31,33-pentadecaen-15-amine;25-(3,6-ditert-butylcarbazol-9-yl)-18-(2,6-diphenylphenyl)-N,N,22-triphenyl-12,28-dioxa-18,22-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),6,8,10,13,15,17(36),20,23(35),24,26,29,31,33-pentadecaen-15-amine;18-(2,6-diphenylphenyl)-25-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-N,N,22-triphenyl-12,28-dioxa-18,22-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),6,8,10,13,15,17(36),20,23(35),24,26,29,31,33-pentadecaen-15-amine is CC(C)(C)c1ccc(N2c3cc4c(cc3B3c5ccc(C(C)(C)C)cc5Oc5cc(-n6c7ccccc7c7ccccc76)cc2c53)B2c3ccc(C(C)(C)C)cc3Oc3cc(-n5c6ccccc6c6ccccc65)cc(c32)N4c2c(-c3ccccc3)cccc2-c2ccccc2)cc1.CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cc2c3c(c1)N(c1ccccc1)c1cc4c(cc1B3c1ccccc1O2)B1c2ccccc2Oc2cc(N(c3ccccc3)c3ccccc3)cc(c21)N4c1c(-c2ccccc2)cccc1-c1ccccc1.CC(C)(C)c1ccc2c3ccc(C(C)(C)C)cc3n(-c3cc4c5c(c3)N(c3ccccc3)c3cc6c(cc3B5c3ccccc3O4)B3c4ccccc4Oc4cc(N(c5ccccc5)c5ccccc5)cc(c43)N6c3c(-c4ccccc4)cccc3-c3ccccc3)c2c1.[2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2-c1cc2c3c(c1)N(c1ccc(C(C)(C)C)cc1)c1cc4c(cc1B3c1ccc(C(C)(C)C)cc1O2)B1c2ccc(C(C)(C)C)cc2Oc2cc(-n3c5c([2H])c([2H])c([2H])c([2H])c5c5c([2H])c([2H])c([2H])c([2H])c53)cc(c21)N4c1c(-c2ccccc2)cccc1-c1ccccc1.[2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2-c1cc2c3c(c1)N(c1ccccc1)c1cc4c(cc1B3c1ccccc1O2)B1c2ccccc2Oc2cc(N(c3ccccc3)c3ccccc3)cc(c21)N4c1c(-c2ccccc2)cccc1-c1ccccc1.
What is the InChIKey of 9,31-ditert-butyl-18-(4-tert-butylphenyl)-15,25-di(carbazol-9-yl)-22-(2,6-diphenylphenyl)-12,28-dioxa-18,22-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(11),7,9,13,15,17(36),19,23(35),24,26,29(34),30,32-pentadecaene;9,31-ditert-butyl-18-(4-tert-butylphenyl)-22-(2,6-diphenylphenyl)-15,25-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-12,28-dioxa-18,22-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(11),7,9,13,15,17(36),19,23(35),24,26,29(34),30,32-pentadecaene;25-(2,7-ditert-butylcarbazol-9-yl)-18-(2,6-diphenylphenyl)-N,N,22-triphenyl-12,28-dioxa-18,22-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),6,8,10,13,15,17(36),20,23(35),24,26,29,31,33-pentadecaen-15-amine;25-(3,6-ditert-butylcarbazol-9-yl)-18-(2,6-diphenylphenyl)-N,N,22-triphenyl-12,28-dioxa-18,22-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),6,8,10,13,15,17(36),20,23(35),24,26,29,31,33-pentadecaen-15-amine;18-(2,6-diphenylphenyl)-25-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-N,N,22-triphenyl-12,28-dioxa-18,22-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),6,8,10,13,15,17(36),20,23(35),24,26,29,31,33-pentadecaen-15-amine?
The InChIKey is OYZLHCPBDBVGMQ-BMTUZMQLSA-N. The full InChI is InChI=1S/2C90H72B2N4O2.2C86H66B2N4O2.C78H50B2N4O2/c2*1-88(2,3)57-39-43-60(44-40-57)93-77-54-78-72(53-71(77)91-69-45-41-58(89(4,5)6)47-81(69)97-83-51-61(49-79(93)85(83)91)94-73-35-20-16-29-65(73)66-30-17-21-36-74(66)94)92-70-46-42-59(90(7,8)9)48-82(70)98-84-52-62(95-75-37-22-18-31-67(75)68-32-19-23-38-76(68)95)50-80(86(84)92)96(78)87-63(55-25-12-10-13-26-55)33-24-34-64(87)56-27-14-11-15-28-56;1-85(2,3)57-43-45-72-66(47-57)67-48-58(86(4,5)6)44-46-73(67)91(72)63-50-76-82-81(52-63)94-78-41-24-22-39-68(78)87(82)70-53-71-75(54-74(70)90(76)61-35-20-11-21-36-61)92(84-64(55-27-12-7-13-28-55)37-26-38-65(84)56-29-14-8-15-30-56)77-49-62(51-80-83(77)88(71)69-40-23-25-42-79(69)93-80)89(59-31-16-9-17-32-59)60-33-18-10-19-34-60;1-85(2,3)57-43-45-66-67-46-44-58(86(4,5)6)48-73(67)91(72(66)47-57)63-50-76-82-81(52-63)94-78-41-24-22-39-68(78)87(82)70-53-71-75(54-74(70)90(76)61-35-20-11-21-36-61)92(84-64(55-27-12-7-13-28-55)37-26-38-65(84)56-29-14-8-15-30-56)77-49-62(51-80-83(77)88(71)69-40-23-25-42-79(69)93-80)89(59-31-16-9-17-32-59)60-33-18-10-19-34-60;1-6-25-51(26-7-1)58-37-24-38-59(52-27-8-2-9-28-52)78(58)84-69-50-68-64(49-65(69)80-63-40-19-23-44-73(63)85-74-47-56(45-71(84)77(74)80)81(53-29-10-3-11-30-53)54-31-12-4-13-32-54)79-62-39-18-22-43-72(62)86-75-48-57(46-70(76(75)79)82(68)55-33-14-5-15-34-55)83-66-41-20-16-35-60(66)61-36-17-21-42-67(61)83/h2*10-54H,1-9H3;2*7-54H,1-6H3;1-50H/i16D,17D,18D,19D,20D,21D,22D,23D,29D,30D,31D,32D,35D,36D,37D,38D;;;;16D,17D,20D,21D,35D,36D,41D,42D.
What are the key properties of 9,31-ditert-butyl-18-(4-tert-butylphenyl)-15,25-di(carbazol-9-yl)-22-(2,6-diphenylphenyl)-12,28-dioxa-18,22-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(11),7,9,13,15,17(36),19,23(35),24,26,29(34),30,32-pentadecaene;9,31-ditert-butyl-18-(4-tert-butylphenyl)-22-(2,6-diphenylphenyl)-15,25-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-12,28-dioxa-18,22-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(11),7,9,13,15,17(36),19,23(35),24,26,29(34),30,32-pentadecaene;25-(2,7-ditert-butylcarbazol-9-yl)-18-(2,6-diphenylphenyl)-N,N,22-triphenyl-12,28-dioxa-18,22-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),6,8,10,13,15,17(36),20,23(35),24,26,29,31,33-pentadecaen-15-amine;25-(3,6-ditert-butylcarbazol-9-yl)-18-(2,6-diphenylphenyl)-N,N,22-triphenyl-12,28-dioxa-18,22-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),6,8,10,13,15,17(36),20,23(35),24,26,29,31,33-pentadecaen-15-amine;18-(2,6-diphenylphenyl)-25-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-N,N,22-triphenyl-12,28-dioxa-18,22-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),6,8,10,13,15,17(36),20,23(35),24,26,29,31,33-pentadecaen-15-amine?
9,31-ditert-butyl-18-(4-tert-butylphenyl)-15,25-di(carbazol-9-yl)-22-(2,6-diphenylphenyl)-12,28-dioxa-18,22-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(11),7,9,13,15,17(36),19,23(35),24,26,29(34),30,32-pentadecaene;9,31-ditert-butyl-18-(4-tert-butylphenyl)-22-(2,6-diphenylphenyl)-15,25-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-12,28-dioxa-18,22-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(11),7,9,13,15,17(36),19,23(35),24,26,29(34),30,32-pentadecaene;25-(2,7-ditert-butylcarbazol-9-yl)-18-(2,6-diphenylphenyl)-N,N,22-triphenyl-12,28-dioxa-18,22-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),6,8,10,13,15,17(36),20,23(35),24,26,29,31,33-pentadecaen-15-amine;25-(3,6-ditert-butylcarbazol-9-yl)-18-(2,6-diphenylphenyl)-N,N,22-triphenyl-12,28-dioxa-18,22-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),6,8,10,13,15,17(36),20,23(35),24,26,29,31,33-pentadecaen-15-amine;18-(2,6-diphenylphenyl)-25-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-N,N,22-triphenyl-12,28-dioxa-18,22-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),6,8,10,13,15,17(36),20,23(35),24,26,29,31,33-pentadecaen-15-amine has a molecular weight of 6065.73 g/mol, XLogP of 94.22, 36 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 9,31-ditert-butyl-18-(4-tert-butylphenyl)-15,25-di(carbazol-9-yl)-22-(2,6-diphenylphenyl)-12,28-dioxa-18,22-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(11),7,9,13,15,17(36),19,23(35),24,26,29(34),30,32-pentadecaene;9,31-ditert-butyl-18-(4-tert-butylphenyl)-22-(2,6-diphenylphenyl)-15,25-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-12,28-dioxa-18,22-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(11),7,9,13,15,17(36),19,23(35),24,26,29(34),30,32-pentadecaene;25-(2,7-ditert-butylcarbazol-9-yl)-18-(2,6-diphenylphenyl)-N,N,22-triphenyl-12,28-dioxa-18,22-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),6,8,10,13,15,17(36),20,23(35),24,26,29,31,33-pentadecaen-15-amine;25-(3,6-ditert-butylcarbazol-9-yl)-18-(2,6-diphenylphenyl)-N,N,22-triphenyl-12,28-dioxa-18,22-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),6,8,10,13,15,17(36),20,23(35),24,26,29,31,33-pentadecaen-15-amine;18-(2,6-diphenylphenyl)-25-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-N,N,22-triphenyl-12,28-dioxa-18,22-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),6,8,10,13,15,17(36),20,23(35),24,26,29,31,33-pentadecaen-15-amine is sourced from PubChem (CID 165046420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).