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

C430H303B10N25S5 — CID 165000001

IUPAC15-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
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cc2c3c(c1)N(c1ccccc1)c1cc4c(cc1B3c1ccccc1S2)B1c2ccccc2N(c2ccccc2)c2cc(N(c3ccccc3)c3ccccc3-c3ccccc3)cc(c21)N4c1ccccc1-c1ccccc1.CC(C)(C)c1ccc2c3ccc(C(C)(C)C)cc3n(-c3cc4c5c(c3)N(c3ccccc3-c3ccccc3)c3ccccc3B5c3cc5c(cc3N4c3ccccc3)N(c3ccccc3-c3ccccc3)c3cc(N(c4ccccc4)c4ccccc4-c4ccccc4)cc4c3B5c3ccccc3S4)c2c1.[2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2-c1cc2c3c(c1)N(c1ccccc1)c1cc4c(cc1B3c1ccccc1S2)B1c2ccccc2N(c2ccccc2)c2cc(N(c3ccccc3)c3ccccc3)cc(c21)N4c1ccccc1-c1ccccc1.c1ccc(-c2cccc(-c3ccccc3)c2N2c3cc4c(cc3B3c5ccccc5N(c5ccccc5)c5cc(N(c6ccccc6)c6ccccc6)cc2c53)B2c3ccccc3Sc3cc(-n5c6ccccc6c6ccccc65)cc(c32)N4c2ccccc2)cc1.c1ccc(-c2ccccc2N2c3cc4c(cc3B3c5ccccc5N(c5ccccc5)c5cc(N(c6ccccc6)c6ccccc6)cc2c53)B2c3ccccc3Sc3cc(-n5c6ccccc6c6ccccc65)cc(c32)N4c2ccccc2)cc1
InChIInChI=1S/C98H75B2N5S.C92H71B2N5S.C84H55B2N5S.2C78H51B2N5S/c1-97(2,3)67-52-54-76-77-55-53-68(98(4,5)6)57-87(77)103(86(76)56-67)71-58-90-95-91(59-71)104(83-48-28-23-43-74(83)65-34-14-8-15-35-65)85-50-30-25-45-78(85)99(95)80-62-81-89(63-88(80)102(90)70-40-20-11-21-41-70)105(84-49-29-24-44-75(84)66-36-16-9-17-37-66)92-60-72(61-94-96(92)100(81)79-46-26-31-51-93(79)106-94)101(69-38-18-10-19-39-69)82-47-27-22-42-73(82)64-32-12-7-13-33-64;1-91(2,3)62-48-50-79-71(52-62)72-53-63(92(4,5)6)49-51-80(72)98(79)68-56-86-90-88(57-68)100-87-47-29-25-43-74(87)94(90)75-58-76-83(59-82(75)97(86)66-38-20-11-21-39-66)99(78-45-27-23-41-70(78)61-32-14-8-15-33-61)85-55-67(54-84-89(85)93(76)73-42-24-28-46-81(73)96(84)65-36-18-10-19-37-65)95(64-34-16-9-17-35-64)77-44-26-22-40-69(77)60-30-12-7-13-31-60;1-7-28-56(29-8-1)64-42-27-43-65(57-30-9-2-10-31-57)84(64)91-76-55-75-70(86-69-45-22-26-49-80(69)92-81-53-63(52-79(83(81)86)89(75)61-38-17-6-18-39-61)90-72-46-23-19-40-66(72)67-41-20-24-47-73(67)90)54-71(76)85-68-44-21-25-48-74(68)88(60-36-15-5-16-37-60)77-50-62(51-78(91)82(77)85)87(58-32-11-3-12-33-58)59-34-13-4-14-35-59;2*1-6-26-52(27-7-1)59-36-16-21-41-66(59)85-71-51-70-64(80-63-40-20-25-45-75(63)86-76-49-58(48-74(78(76)80)83(70)56-34-14-5-15-35-56)84-67-42-22-17-37-60(67)61-38-18-23-43-68(61)84)50-65(71)79-62-39-19-24-44-69(62)82(55-32-12-4-13-33-55)72-46-57(47-73(85)77(72)79)81(53-28-8-2-9-29-53)54-30-10-3-11-31-54/h7-63H,1-6H3;7-59H,1-6H3;1-55H;2*1-51H/i;;;17D,18D,22D,23D,37D,38D,42D,43D;
InChIKeyICQXPZWMZZVQKH-PFEDVYPJSA-N
MW6096.83 g/mol
LogP95.69
Rot. Bonds44

About 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

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 (PubChem CID 165000001) has the molecular formula C430H303B10N25S5 and a molecular weight of 6096.83 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name15-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
PubChem CID165000001
Molecular FormulaC430H303B10N25S5
Molecular Weight6096.83 g/mol
Exact Mass6093.45
IUPAC Name15-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
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cc2c3c(c1)N(c1ccccc1)c1cc4c(cc1B3c1ccccc1S2)B1c2ccccc2N(c2ccccc2)c2cc(N(c3ccccc3)c3ccccc3-c3ccccc3)cc(c21)N4c1ccccc1-c1ccccc1.CC(C)(C)c1ccc2c3ccc(C(C)(C)C)cc3n(-c3cc4c5c(c3)N(c3ccccc3-c3ccccc3)c3ccccc3B5c3cc5c(cc3N4c3ccccc3)N(c3ccccc3-c3ccccc3)c3cc(N(c4ccccc4)c4ccccc4-c4ccccc4)cc4c3B5c3ccccc3S4)c2c1.[2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2-c1cc2c3c(c1)N(c1ccccc1)c1cc4c(cc1B3c1ccccc1S2)B1c2ccccc2N(c2ccccc2)c2cc(N(c3ccccc3)c3ccccc3)cc(c21)N4c1ccccc1-c1ccccc1.c1ccc(-c2cccc(-c3ccccc3)c2N2c3cc4c(cc3B3c5ccccc5N(c5ccccc5)c5cc(N(c6ccccc6)c6ccccc6)cc2c53)B2c3ccccc3Sc3cc(-n5c6ccccc6c6ccccc65)cc(c32)N4c2ccccc2)cc1.c1ccc(-c2ccccc2N2c3cc4c(cc3B3c5ccccc5N(c5ccccc5)c5cc(N(c6ccccc6)c6ccccc6)cc2c53)B2c3ccccc3Sc3cc(-n5c6ccccc6c6ccccc65)cc(c32)N4c2ccccc2)cc1
InChIInChI=1S/C98H75B2N5S.C92H71B2N5S.C84H55B2N5S.2C78H51B2N5S/c1-97(2,3)67-52-54-76-77-55-53-68(98(4,5)6)57-87(77)103(86(76)56-67)71-58-90-95-91(59-71)104(83-48-28-23-43-74(83)65-34-14-8-15-35-65)85-50-30-25-45-78(85)99(95)80-62-81-89(63-88(80)102(90)70-40-20-11-21-41-70)105(84-49-29-24-44-75(84)66-36-16-9-17-37-66)92-60-72(61-94-96(92)100(81)79-46-26-31-51-93(79)106-94)101(69-38-18-10-19-39-69)82-47-27-22-42-73(82)64-32-12-7-13-33-64;1-91(2,3)62-48-50-79-71(52-62)72-53-63(92(4,5)6)49-51-80(72)98(79)68-56-86-90-88(57-68)100-87-47-29-25-43-74(87)94(90)75-58-76-83(59-82(75)97(86)66-38-20-11-21-39-66)99(78-45-27-23-41-70(78)61-32-14-8-15-33-61)85-55-67(54-84-89(85)93(76)73-42-24-28-46-81(73)96(84)65-36-18-10-19-37-65)95(64-34-16-9-17-35-64)77-44-26-22-40-69(77)60-30-12-7-13-31-60;1-7-28-56(29-8-1)64-42-27-43-65(57-30-9-2-10-31-57)84(64)91-76-55-75-70(86-69-45-22-26-49-80(69)92-81-53-63(52-79(83(81)86)89(75)61-38-17-6-18-39-61)90-72-46-23-19-40-66(72)67-41-20-24-47-73(67)90)54-71(76)85-68-44-21-25-48-74(68)88(60-36-15-5-16-37-60)77-50-62(51-78(91)82(77)85)87(58-32-11-3-12-33-58)59-34-13-4-14-35-59;2*1-6-26-52(27-7-1)59-36-16-21-41-66(59)85-71-51-70-64(80-63-40-20-25-45-75(63)86-76-49-58(48-74(78(76)80)83(70)56-34-14-5-15-35-56)84-67-42-22-17-37-60(67)61-38-18-23-43-68(61)84)50-65(71)79-62-39-19-24-44-69(62)82(55-32-12-4-13-33-55)72-46-57(47-73(85)77(72)79)81(53-28-8-2-9-29-53)54-30-10-3-11-31-54/h7-63H,1-6H3;7-59H,1-6H3;1-55H;2*1-51H/i;;;17D,18D,22D,23D,37D,38D,42D,43D;
InChIKeyICQXPZWMZZVQKH-PFEDVYPJSA-N
XLogP95.69
TPSA89.45 Ų
H-Bond Donors
H-Bond Acceptors30
Rotatable Bonds44
Heavy Atoms470
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5006096.83
LogP ≤ 595.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1030

Analyze 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 with MolForge

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Related Compounds

22-[2,6-bis(4-tert-butylphenyl)phenyl]-25-N,28-bis[2-(4-tert-butylphenyl)phenyl]-15-N,15-N,25-N,18-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-pentadecaene-15,25-diamine
CID 164937950
15-N-[2-(4-tert-butylphenyl)phenyl]-18,22-bis(2,6-diphenylphenyl)-15-N,25-N,25-N,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-pentadecaene-15,25-diamine
CID 164937914
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
15,25-bis(2,7-ditert-butylcarbazol-9-yl)-22-(2,6-diphenylphenyl)-18,28-diphenyl-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-pentadecaene
CID 164732796
22-[2-(4-tert-butylphenyl)phenyl]-15-N,15-N,25-N,25-N,12,28-hexakis-phenyl-18-thia-12,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;22-(2-carbazol-9-yl-6-phenylphenyl)-15-N,25-N,25-N,28-tetraphenyl-15-N,12-bis(2-phenylphenyl)-18-thia-12,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;22-(2,6-diphenylphenyl)-15-N,15-N,25-N,25-N,12,28-hexakis-phenyl-18-thia-12,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;18-(2,6-diphenylphenyl)-15-N,15-N,25-N,25-N,28-pentakis-phenyl-12-oxa-22-thia-18,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;15-N,15-N,25-N,25-N,28-pentakis-phenyl-22-(2-phenylphenyl)-12,18-dithia-22,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;15-N,15-N,25-N,25-N,28-pentakis-phenyl-22-(2-phenylphenyl)-12-oxa-18-thia-22,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine
CID 167665413
22-[2-(4-tert-butylphenyl)phenyl]-15-N,15-N,28-triphenyl-25-N-(2-phenylphenyl)-25-N-(4-phenylphenyl)-12,18-dithia-22,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;22-(2,6-diphenylphenyl)-15-N,15-N,28-triphenyl-25-N-(2-phenylphenyl)-25-N-(4-phenylphenyl)-12,18-dithia-22,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;15-N,15-N,28-triphenyl-25-N,22-bis(2-phenylphenyl)-25-N-(4-phenylphenyl)-12,18-dithia-22,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine
CID 167583980
15-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-N,N,12,28-tetraphenyl-22-(2-phenylphenyl)-18-thia-12,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaen-25-amine
CID 164732756
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
22-[2,6-bis(4-tert-butylphenyl)phenyl]-28-phenyl-15-N,25-N-bis(2-phenylphenyl)-15-N,25-N-bis(4-phenylphenyl)-12,18-dithia-22,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine
CID 164832856
25-N,28-bis[2-(4-tert-butylphenyl)phenyl]-15-N,15-N,25-N,12,22-pentakis-phenyl-18-thia-12,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23(35),24,26,29,31,33-pentadecaene-15,25-diamine
CID 164937929
18-(6-tert-butyl-1,2,3,4-tetradeuteriocarbazol-9-yl)-21-(2,6-diphenylphenyl)-5,24-diphenyl-15-thia-5,21-diaza-1-boraheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16,18,20(28),22(27),23,25-dodecaene
CID 169030525
18-[2,6-bis(4-tert-butylphenyl)phenyl]-28-phenyl-15-N,15-N,25-N,25-N-tetrakis(4-phenylphenyl)-12,22-dithia-18,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;18-[2,6-bis(4-tert-butylphenyl)phenyl]-15-N,15-N,25-N,28-tetraphenyl-25-N-(4-phenylphenyl)-12,22-dithia-18,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;18-[2,6-bis(4-tert-butylphenyl)phenyl]-25-N,25-N,28-triphenyl-15-N,15-N-bis(4-phenylphenyl)-12,22-dithia-18,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine
CID 167674443

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cc2c3c(c1)N(c1ccccc1)c1cc4c(cc1B3c1ccccc1S2)B1c2ccccc2N(c2ccccc2)c2cc(N(c3ccccc3)c3ccccc3-c3ccccc3)cc(c21)N4c1ccccc1-c1ccccc1.CC(C)(C)c1ccc2c3ccc(C(C)(C)C)cc3n(-c3cc4c5c(c3)N(c3ccccc3-c3ccccc3)c3ccccc3B5c3cc5c(cc3N4c3ccccc3)N(c3ccccc3-c3ccccc3)c3cc(N(c4ccccc4)c4ccccc4-c4ccccc4)cc4c3B5c3ccccc3S4)c2c1.[2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2-c1cc2c3c(c1)N(c1ccccc1)c1cc4c(cc1B3c1ccccc1S2)B1c2ccccc2N(c2ccccc2)c2cc(N(c3ccccc3)c3ccccc3)cc(c21)N4c1ccccc1-c1ccccc1.c1ccc(-c2cccc(-c3ccccc3)c2N2c3cc4c(cc3B3c5ccccc5N(c5ccccc5)c5cc(N(c6ccccc6)c6ccccc6)cc2c53)B2c3ccccc3Sc3cc(-n5c6ccccc6c6ccccc65)cc(c32)N4c2ccccc2)cc1.c1ccc(-c2ccccc2N2c3cc4c(cc3B3c5ccccc5N(c5ccccc5)c5cc(N(c6ccccc6)c6ccccc6)cc2c53)B2c3ccccc3Sc3cc(-n5c6ccccc6c6ccccc65)cc(c32)N4c2ccccc2)cc1.
What is the InChIKey of 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?
The InChIKey is ICQXPZWMZZVQKH-PFEDVYPJSA-N. The full InChI is InChI=1S/C98H75B2N5S.C92H71B2N5S.C84H55B2N5S.2C78H51B2N5S/c1-97(2,3)67-52-54-76-77-55-53-68(98(4,5)6)57-87(77)103(86(76)56-67)71-58-90-95-91(59-71)104(83-48-28-23-43-74(83)65-34-14-8-15-35-65)85-50-30-25-45-78(85)99(95)80-62-81-89(63-88(80)102(90)70-40-20-11-21-41-70)105(84-49-29-24-44-75(84)66-36-16-9-17-37-66)92-60-72(61-94-96(92)100(81)79-46-26-31-51-93(79)106-94)101(69-38-18-10-19-39-69)82-47-27-22-42-73(82)64-32-12-7-13-33-64;1-91(2,3)62-48-50-79-71(52-62)72-53-63(92(4,5)6)49-51-80(72)98(79)68-56-86-90-88(57-68)100-87-47-29-25-43-74(87)94(90)75-58-76-83(59-82(75)97(86)66-38-20-11-21-39-66)99(78-45-27-23-41-70(78)61-32-14-8-15-33-61)85-55-67(54-84-89(85)93(76)73-42-24-28-46-81(73)96(84)65-36-18-10-19-37-65)95(64-34-16-9-17-35-64)77-44-26-22-40-69(77)60-30-12-7-13-31-60;1-7-28-56(29-8-1)64-42-27-43-65(57-30-9-2-10-31-57)84(64)91-76-55-75-70(86-69-45-22-26-49-80(69)92-81-53-63(52-79(83(81)86)89(75)61-38-17-6-18-39-61)90-72-46-23-19-40-66(72)67-41-20-24-47-73(67)90)54-71(76)85-68-44-21-25-48-74(68)88(60-36-15-5-16-37-60)77-50-62(51-78(91)82(77)85)87(58-32-11-3-12-33-58)59-34-13-4-14-35-59;2*1-6-26-52(27-7-1)59-36-16-21-41-66(59)85-71-51-70-64(80-63-40-20-25-45-75(63)86-76-49-58(48-74(78(76)80)83(70)56-34-14-5-15-35-56)84-67-42-22-17-37-60(67)61-38-18-23-43-68(61)84)50-65(71)79-62-39-19-24-44-69(62)82(55-32-12-4-13-33-55)72-46-57(47-73(85)77(72)79)81(53-28-8-2-9-29-53)54-30-10-3-11-31-54/h7-63H,1-6H3;7-59H,1-6H3;1-55H;2*1-51H/i;;;17D,18D,22D,23D,37D,38D,42D,43D;.
What are the key properties of 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?
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 has a molecular weight of 6096.83 g/mol, XLogP of 95.69, 44 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 165000001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).