3-N,8-N-bis(4-methylphenyl)-3-N,8-N-bis(2,3,4,5,6-pentadeuteriophenyl)-5-phenylbenzo[b]carbazole-3,8-diamine;3-N,8-N-bis(3-methylphenyl)-5-naphthalen-2-yl-3-N,8-N-bis(4-propan-2-ylphenyl)benzo[b]carbazole-3,8-diamine;3-N,8-N-bis(3-methylphenyl)-5-(4-phenylphenyl)-3-N,8-N-bis[4-(trifluoromethyl)phenyl]benzo[b]carbazole-3,8-diamine;4-(N-[3-(4-cyano-N-(3-methylphenyl)anilino)-5-naphthalen-1-ylbenzo[b]carbazol-8-yl]-3-methylanilino)benzonitrile;3-N,8-N-di(dibenzothiophen-4-yl)-3-N,8-N-bis(3-fluorophenyl)-5-naphthalen-2-ylbenzo[b]carbazole-3,8-diamine;5-(3,5-dimethylphenyl)-3-N,8-N-bis(3-methylphenyl)-3-N,8-N-bis(4-trimethylsilylphenyl)benzo[b]carbazole-3,8-diamine;3-[[8-(3-isocyano-N-(6-trimethylsilyldibenzofuran-4-yl)anilino)-5-phenylbenzo[b]carbazol-3-yl]-(6-methyldibenzofuran-4-yl)amino]benzonitrile;3-N-(6-methyldibenzofuran-4-yl)-3-N,8-N-bis(2-methylphenyl)-5-phenyl-8-N-[6-(trideuteriomethyl)dibenzofuran-4-yl]benzo[b]carbazole-3,8-diamine

C460H348F8N28O4S2Si3 — CID 160672474

IUPAC3-N,8-N-bis(4-methylphenyl)-3-N,8-N-bis(2,3,4,5,6-pentadeuteriophenyl)-5-phenylbenzo[b]carbazole-3,8-diamine;3-N,8-N-bis(3-methylphenyl)-5-naphthalen-2-yl-3-N,8-N-bis(4-propan-2-ylphenyl)benzo[b]carbazole-3,8-diamine;3-N,8-N-bis(3-methylphenyl)-5-(4-phenylphenyl)-3-N,8-N-bis[4-(trifluoromethyl)phenyl]benzo[b]carbazole-3,8-diamine;4-(N-[3-(4-cyano-N-(3-methylphenyl)anilino)-5-naphthalen-1-ylbenzo[b]carbazol-8-yl]-3-methylanilino)benzonitrile;3-N,8-N-di(dibenzothiophen-4-yl)-3-N,8-N-bis(3-fluorophenyl)-5-naphthalen-2-ylbenzo[b]carbazole-3,8-diamine;5-(3,5-dimethylphenyl)-3-N,8-N-bis(3-methylphenyl)-3-N,8-N-bis(4-trimethylsilylphenyl)benzo[b]carbazole-3,8-diamine;3-[[8-(3-isocyano-N-(6-trimethylsilyldibenzofuran-4-yl)anilino)-5-phenylbenzo[b]carbazol-3-yl]-(6-methyldibenzofuran-4-yl)amino]benzonitrile;3-N-(6-methyldibenzofuran-4-yl)-3-N,8-N-bis(2-methylphenyl)-5-phenyl-8-N-[6-(trideuteriomethyl)dibenzofuran-4-yl]benzo[b]carbazole-3,8-diamine
SMILESCc1cccc(N(c2ccc(C#N)cc2)c2ccc3cc4c5ccc(N(c6ccc(C#N)cc6)c6cccc(C)c6)cc5n(-c5cccc6ccccc56)c4cc3c2)c1.Cc1cccc(N(c2ccc(C(C)C)cc2)c2ccc3cc4c5ccc(N(c6ccc(C(C)C)cc6)c6cccc(C)c6)cc5n(-c5ccc6ccccc6c5)c4cc3c2)c1.Cc1cccc(N(c2ccc(C(F)(F)F)cc2)c2ccc3cc4c5ccc(N(c6ccc(C(F)(F)F)cc6)c6cccc(C)c6)cc5n(-c5ccc(-c6ccccc6)cc5)c4cc3c2)c1.Cc1cccc(N(c2ccc([Si](C)(C)C)cc2)c2ccc3cc4c5ccc(N(c6ccc([Si](C)(C)C)cc6)c6cccc(C)c6)cc5n(-c5cc(C)cc(C)c5)c4cc3c2)c1.Fc1cccc(N(c2ccc3cc4c5ccc(N(c6cccc(F)c6)c6cccc7c6sc6ccccc67)cc5n(-c5ccc6ccccc6c5)c4cc3c2)c2cccc3c2sc2ccccc23)c1.[2H]C([2H])([2H])c1cccc2c1oc1c(N(c3ccc4cc5c6ccc(N(c7ccccc7C)c7cccc8c7oc7c(C)cccc78)cc6n(-c6ccccc6)c5cc4c3)c3ccccc3C)cccc12.[2H]c1c([2H])c([2H])c(N(c2ccc(C)cc2)c2ccc3cc4c5ccc(N(c6ccc(C)cc6)c6c([2H])c([2H])c([2H])c([2H])c6[2H])cc5n(-c5ccccc5)c4cc3c2)c([2H])c1[2H].[C-]#[N+]c1cccc(N(c2ccc3cc4c5ccc(N(c6cccc(C#N)c6)c6cccc7c6oc6c(C)cccc67)cc5n(-c5ccccc5)c4cc3c2)c2cccc3c2oc2c([Si](C)(C)C)cccc23)c1
InChIInChI=1S/C64H45N5O2Si.C62H37F2N3S2.C62H45N3O2.C58H51N3.C56H39F6N3.C56H57N3Si2.C54H37N5.C48H37N3/c1-40-15-9-22-51-52-23-12-26-56(62(52)70-61(40)51)67(46-20-10-16-41(33-46)39-65)49-31-32-50-55-35-42-29-30-48(34-43(42)36-58(55)69(59(50)38-49)45-18-7-6-8-19-45)68(47-21-11-17-44(37-47)66-2)57-27-13-24-53-54-25-14-28-60(72(3,4)5)64(54)71-63(53)57;63-42-13-7-15-44(35-42)65(55-21-9-19-52-50-17-3-5-23-59(50)68-61(52)55)46-28-26-40-33-54-49-30-29-48(37-58(49)67(57(54)34-41(40)32-46)47-27-25-38-11-1-2-12-39(38)31-47)66(45-16-8-14-43(64)36-45)56-22-10-20-53-51-18-4-6-24-60(51)69-62(53)56;1-38-16-8-10-26-53(38)64(55-28-14-24-50-48-22-12-18-40(3)59(48)66-61(50)55)45-31-30-42-35-52-47-33-32-46(37-58(47)63(44-20-6-5-7-21-44)57(52)36-43(42)34-45)65(54-27-11-9-17-39(54)2)56-29-15-25-51-49-23-13-19-41(4)60(49)67-62(51)56;1-38(2)42-17-23-48(24-18-42)59(50-15-9-11-40(5)31-50)52-28-22-46-35-56-55-30-29-54(60(51-16-10-12-41(6)32-51)49-25-19-43(20-26-49)39(3)4)37-58(55)61(57(56)36-47(46)34-52)53-27-21-44-13-7-8-14-45(44)33-53;1-36-8-6-12-47(30-36)63(44-24-17-42(18-25-44)55(57,58)59)49-23-16-40-33-52-51-29-28-50(64(48-13-7-9-37(2)31-48)45-26-19-43(20-27-45)56(60,61)62)35-54(51)65(53(52)34-41(40)32-49)46-21-14-39(15-22-46)38-10-4-3-5-11-38;1-38-13-11-15-46(30-38)57(44-19-24-51(25-20-44)60(5,6)7)48-18-17-42-35-54-53-28-23-49(37-56(53)59(55(54)36-43(42)34-48)50-32-40(3)29-41(4)33-50)58(47-16-12-14-39(2)31-47)45-21-26-52(27-22-45)61(8,9)10;1-36-8-5-12-45(28-36)57(43-21-16-38(34-55)17-22-43)47-25-20-41-31-51-50-27-26-48(58(46-13-6-9-37(2)29-46)44-23-18-39(35-56)19-24-44)33-54(50)59(53(51)32-42(41)30-47)52-15-7-11-40-10-3-4-14-49(40)52;1-34-18-23-41(24-19-34)49(38-12-6-3-7-13-38)43-27-22-36-31-46-45-29-28-44(50(39-14-8-4-9-15-39)42-25-20-35(2)21-26-42)33-48(45)51(40-16-10-5-11-17-40)47(46)32-37(36)30-43/h6-38H,1,3-5H3;1-37H;5-37H,1-4H3;7-39H,1-6H3;3-35H,1-2H3;11-37H,1-10H3;3-33H,1-2H3;3-33H,1-2H3/i;;3D3;;;;;3D,4D,6D,7D,8D,9D,12D,13D,14D,15D
InChIKeyRNCIODTZEATAGY-OOXUSBCVSA-N
MW6645.49 g/mol
LogP132.08
Rot. Bonds63

About 3-N,8-N-bis(4-methylphenyl)-3-N,8-N-bis(2,3,4,5,6-pentadeuteriophenyl)-5-phenylbenzo[b]carbazole-3,8-diamine;3-N,8-N-bis(3-methylphenyl)-5-naphthalen-2-yl-3-N,8-N-bis(4-propan-2-ylphenyl)benzo[b]carbazole-3,8-diamine;3-N,8-N-bis(3-methylphenyl)-5-(4-phenylphenyl)-3-N,8-N-bis[4-(trifluoromethyl)phenyl]benzo[b]carbazole-3,8-diamine;4-(N-[3-(4-cyano-N-(3-methylphenyl)anilino)-5-naphthalen-1-ylbenzo[b]carbazol-8-yl]-3-methylanilino)benzonitrile;3-N,8-N-di(dibenzothiophen-4-yl)-3-N,8-N-bis(3-fluorophenyl)-5-naphthalen-2-ylbenzo[b]carbazole-3,8-diamine;5-(3,5-dimethylphenyl)-3-N,8-N-bis(3-methylphenyl)-3-N,8-N-bis(4-trimethylsilylphenyl)benzo[b]carbazole-3,8-diamine;3-[[8-(3-isocyano-N-(6-trimethylsilyldibenzofuran-4-yl)anilino)-5-phenylbenzo[b]carbazol-3-yl]-(6-methyldibenzofuran-4-yl)amino]benzonitrile;3-N-(6-methyldibenzofuran-4-yl)-3-N,8-N-bis(2-methylphenyl)-5-phenyl-8-N-[6-(trideuteriomethyl)dibenzofuran-4-yl]benzo[b]carbazole-3,8-diamine

3-N,8-N-bis(4-methylphenyl)-3-N,8-N-bis(2,3,4,5,6-pentadeuteriophenyl)-5-phenylbenzo[b]carbazole-3,8-diamine;3-N,8-N-bis(3-methylphenyl)-5-naphthalen-2-yl-3-N,8-N-bis(4-propan-2-ylphenyl)benzo[b]carbazole-3,8-diamine;3-N,8-N-bis(3-methylphenyl)-5-(4-phenylphenyl)-3-N,8-N-bis[4-(trifluoromethyl)phenyl]benzo[b]carbazole-3,8-diamine;4-(N-[3-(4-cyano-N-(3-methylphenyl)anilino)-5-naphthalen-1-ylbenzo[b]carbazol-8-yl]-3-methylanilino)benzonitrile;3-N,8-N-di(dibenzothiophen-4-yl)-3-N,8-N-bis(3-fluorophenyl)-5-naphthalen-2-ylbenzo[b]carbazole-3,8-diamine;5-(3,5-dimethylphenyl)-3-N,8-N-bis(3-methylphenyl)-3-N,8-N-bis(4-trimethylsilylphenyl)benzo[b]carbazole-3,8-diamine;3-[[8-(3-isocyano-N-(6-trimethylsilyldibenzofuran-4-yl)anilino)-5-phenylbenzo[b]carbazol-3-yl]-(6-methyldibenzofuran-4-yl)amino]benzonitrile;3-N-(6-methyldibenzofuran-4-yl)-3-N,8-N-bis(2-methylphenyl)-5-phenyl-8-N-[6-(trideuteriomethyl)dibenzofuran-4-yl]benzo[b]carbazole-3,8-diamine (PubChem CID 160672474) has the molecular formula C460H348F8N28O4S2Si3 and a molecular weight of 6645.49 g/mol. Its IUPAC name is 3-N,8-N-bis(4-methylphenyl)-3-N,8-N-bis(2,3,4,5,6-pentadeuteriophenyl)-5-phenylbenzo[b]carbazole-3,8-diamine;3-N,8-N-bis(3-methylphenyl)-5-naphthalen-2-yl-3-N,8-N-bis(4-propan-2-ylphenyl)benzo[b]carbazole-3,8-diamine;3-N,8-N-bis(3-methylphenyl)-5-(4-phenylphenyl)-3-N,8-N-bis[4-(trifluoromethyl)phenyl]benzo[b]carbazole-3,8-diamine;4-(N-[3-(4-cyano-N-(3-methylphenyl)anilino)-5-naphthalen-1-ylbenzo[b]carbazol-8-yl]-3-methylanilino)benzonitrile;3-N,8-N-di(dibenzothiophen-4-yl)-3-N,8-N-bis(3-fluorophenyl)-5-naphthalen-2-ylbenzo[b]carbazole-3,8-diamine;5-(3,5-dimethylphenyl)-3-N,8-N-bis(3-methylphenyl)-3-N,8-N-bis(4-trimethylsilylphenyl)benzo[b]carbazole-3,8-diamine;3-[[8-(3-isocyano-N-(6-trimethylsilyldibenzofuran-4-yl)anilino)-5-phenylbenzo[b]carbazol-3-yl]-(6-methyldibenzofuran-4-yl)amino]benzonitrile;3-N-(6-methyldibenzofuran-4-yl)-3-N,8-N-bis(2-methylphenyl)-5-phenyl-8-N-[6-(trideuteriomethyl)dibenzofuran-4-yl]benzo[b]carbazole-3,8-diamine.

Molecular Properties

Compound Name3-N,8-N-bis(4-methylphenyl)-3-N,8-N-bis(2,3,4,5,6-pentadeuteriophenyl)-5-phenylbenzo[b]carbazole-3,8-diamine;3-N,8-N-bis(3-methylphenyl)-5-naphthalen-2-yl-3-N,8-N-bis(4-propan-2-ylphenyl)benzo[b]carbazole-3,8-diamine;3-N,8-N-bis(3-methylphenyl)-5-(4-phenylphenyl)-3-N,8-N-bis[4-(trifluoromethyl)phenyl]benzo[b]carbazole-3,8-diamine;4-(N-[3-(4-cyano-N-(3-methylphenyl)anilino)-5-naphthalen-1-ylbenzo[b]carbazol-8-yl]-3-methylanilino)benzonitrile;3-N,8-N-di(dibenzothiophen-4-yl)-3-N,8-N-bis(3-fluorophenyl)-5-naphthalen-2-ylbenzo[b]carbazole-3,8-diamine;5-(3,5-dimethylphenyl)-3-N,8-N-bis(3-methylphenyl)-3-N,8-N-bis(4-trimethylsilylphenyl)benzo[b]carbazole-3,8-diamine;3-[[8-(3-isocyano-N-(6-trimethylsilyldibenzofuran-4-yl)anilino)-5-phenylbenzo[b]carbazol-3-yl]-(6-methyldibenzofuran-4-yl)amino]benzonitrile;3-N-(6-methyldibenzofuran-4-yl)-3-N,8-N-bis(2-methylphenyl)-5-phenyl-8-N-[6-(trideuteriomethyl)dibenzofuran-4-yl]benzo[b]carbazole-3,8-diamine
PubChem CID160672474
Molecular FormulaC460H348F8N28O4S2Si3
Molecular Weight6645.49 g/mol
Exact Mass6639.73
IUPAC Name3-N,8-N-bis(4-methylphenyl)-3-N,8-N-bis(2,3,4,5,6-pentadeuteriophenyl)-5-phenylbenzo[b]carbazole-3,8-diamine;3-N,8-N-bis(3-methylphenyl)-5-naphthalen-2-yl-3-N,8-N-bis(4-propan-2-ylphenyl)benzo[b]carbazole-3,8-diamine;3-N,8-N-bis(3-methylphenyl)-5-(4-phenylphenyl)-3-N,8-N-bis[4-(trifluoromethyl)phenyl]benzo[b]carbazole-3,8-diamine;4-(N-[3-(4-cyano-N-(3-methylphenyl)anilino)-5-naphthalen-1-ylbenzo[b]carbazol-8-yl]-3-methylanilino)benzonitrile;3-N,8-N-di(dibenzothiophen-4-yl)-3-N,8-N-bis(3-fluorophenyl)-5-naphthalen-2-ylbenzo[b]carbazole-3,8-diamine;5-(3,5-dimethylphenyl)-3-N,8-N-bis(3-methylphenyl)-3-N,8-N-bis(4-trimethylsilylphenyl)benzo[b]carbazole-3,8-diamine;3-[[8-(3-isocyano-N-(6-trimethylsilyldibenzofuran-4-yl)anilino)-5-phenylbenzo[b]carbazol-3-yl]-(6-methyldibenzofuran-4-yl)amino]benzonitrile;3-N-(6-methyldibenzofuran-4-yl)-3-N,8-N-bis(2-methylphenyl)-5-phenyl-8-N-[6-(trideuteriomethyl)dibenzofuran-4-yl]benzo[b]carbazole-3,8-diamine
SMILESCc1cccc(N(c2ccc(C#N)cc2)c2ccc3cc4c5ccc(N(c6ccc(C#N)cc6)c6cccc(C)c6)cc5n(-c5cccc6ccccc56)c4cc3c2)c1.Cc1cccc(N(c2ccc(C(C)C)cc2)c2ccc3cc4c5ccc(N(c6ccc(C(C)C)cc6)c6cccc(C)c6)cc5n(-c5ccc6ccccc6c5)c4cc3c2)c1.Cc1cccc(N(c2ccc(C(F)(F)F)cc2)c2ccc3cc4c5ccc(N(c6ccc(C(F)(F)F)cc6)c6cccc(C)c6)cc5n(-c5ccc(-c6ccccc6)cc5)c4cc3c2)c1.Cc1cccc(N(c2ccc([Si](C)(C)C)cc2)c2ccc3cc4c5ccc(N(c6ccc([Si](C)(C)C)cc6)c6cccc(C)c6)cc5n(-c5cc(C)cc(C)c5)c4cc3c2)c1.Fc1cccc(N(c2ccc3cc4c5ccc(N(c6cccc(F)c6)c6cccc7c6sc6ccccc67)cc5n(-c5ccc6ccccc6c5)c4cc3c2)c2cccc3c2sc2ccccc23)c1.[2H]C([2H])([2H])c1cccc2c1oc1c(N(c3ccc4cc5c6ccc(N(c7ccccc7C)c7cccc8c7oc7c(C)cccc78)cc6n(-c6ccccc6)c5cc4c3)c3ccccc3C)cccc12.[2H]c1c([2H])c([2H])c(N(c2ccc(C)cc2)c2ccc3cc4c5ccc(N(c6ccc(C)cc6)c6c([2H])c([2H])c([2H])c([2H])c6[2H])cc5n(-c5ccccc5)c4cc3c2)c([2H])c1[2H].[C-]#[N+]c1cccc(N(c2ccc3cc4c5ccc(N(c6cccc(C#N)c6)c6cccc7c6oc6c(C)cccc67)cc5n(-c5ccccc5)c4cc3c2)c2cccc3c2oc2c([Si](C)(C)C)cccc23)c1
InChIInChI=1S/C64H45N5O2Si.C62H37F2N3S2.C62H45N3O2.C58H51N3.C56H39F6N3.C56H57N3Si2.C54H37N5.C48H37N3/c1-40-15-9-22-51-52-23-12-26-56(62(52)70-61(40)51)67(46-20-10-16-41(33-46)39-65)49-31-32-50-55-35-42-29-30-48(34-43(42)36-58(55)69(59(50)38-49)45-18-7-6-8-19-45)68(47-21-11-17-44(37-47)66-2)57-27-13-24-53-54-25-14-28-60(72(3,4)5)64(54)71-63(53)57;63-42-13-7-15-44(35-42)65(55-21-9-19-52-50-17-3-5-23-59(50)68-61(52)55)46-28-26-40-33-54-49-30-29-48(37-58(49)67(57(54)34-41(40)32-46)47-27-25-38-11-1-2-12-39(38)31-47)66(45-16-8-14-43(64)36-45)56-22-10-20-53-51-18-4-6-24-60(51)69-62(53)56;1-38-16-8-10-26-53(38)64(55-28-14-24-50-48-22-12-18-40(3)59(48)66-61(50)55)45-31-30-42-35-52-47-33-32-46(37-58(47)63(44-20-6-5-7-21-44)57(52)36-43(42)34-45)65(54-27-11-9-17-39(54)2)56-29-15-25-51-49-23-13-19-41(4)60(49)67-62(51)56;1-38(2)42-17-23-48(24-18-42)59(50-15-9-11-40(5)31-50)52-28-22-46-35-56-55-30-29-54(60(51-16-10-12-41(6)32-51)49-25-19-43(20-26-49)39(3)4)37-58(55)61(57(56)36-47(46)34-52)53-27-21-44-13-7-8-14-45(44)33-53;1-36-8-6-12-47(30-36)63(44-24-17-42(18-25-44)55(57,58)59)49-23-16-40-33-52-51-29-28-50(64(48-13-7-9-37(2)31-48)45-26-19-43(20-27-45)56(60,61)62)35-54(51)65(53(52)34-41(40)32-49)46-21-14-39(15-22-46)38-10-4-3-5-11-38;1-38-13-11-15-46(30-38)57(44-19-24-51(25-20-44)60(5,6)7)48-18-17-42-35-54-53-28-23-49(37-56(53)59(55(54)36-43(42)34-48)50-32-40(3)29-41(4)33-50)58(47-16-12-14-39(2)31-47)45-21-26-52(27-22-45)61(8,9)10;1-36-8-5-12-45(28-36)57(43-21-16-38(34-55)17-22-43)47-25-20-41-31-51-50-27-26-48(58(46-13-6-9-37(2)29-46)44-23-18-39(35-56)19-24-44)33-54(50)59(53(51)32-42(41)30-47)52-15-7-11-40-10-3-4-14-49(40)52;1-34-18-23-41(24-19-34)49(38-12-6-3-7-13-38)43-27-22-36-31-46-45-29-28-44(50(39-14-8-4-9-15-39)42-25-20-35(2)21-26-42)33-48(45)51(40-16-10-5-11-17-40)47(46)32-37(36)30-43/h6-38H,1,3-5H3;1-37H;5-37H,1-4H3;7-39H,1-6H3;3-35H,1-2H3;11-37H,1-10H3;3-33H,1-2H3;3-33H,1-2H3/i;;3D3;;;;;3D,4D,6D,7D,8D,9D,12D,13D,14D,15D
InChIKeyRNCIODTZEATAGY-OOXUSBCVSA-N
XLogP132.08
TPSA219.57 Ų
H-Bond Donors
H-Bond Acceptors33
Rotatable Bonds63
Heavy Atoms505
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5006645.49
LogP ≤ 5132.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1033

Analyze 3-N,8-N-bis(4-methylphenyl)-3-N,8-N-bis(2,3,4,5,6-pentadeuteriophenyl)-5-phenylbenzo[b]carbazole-3,8-diamine;3-N,8-N-bis(3-methylphenyl)-5-naphthalen-2-yl-3-N,8-N-bis(4-propan-2-ylphenyl)benzo[b]carbazole-3,8-diamine;3-N,8-N-bis(3-methylphenyl)-5-(4-phenylphenyl)-3-N,8-N-bis[4-(trifluoromethyl)phenyl]benzo[b]carbazole-3,8-diamine;4-(N-[3-(4-cyano-N-(3-methylphenyl)anilino)-5-naphthalen-1-ylbenzo[b]carbazol-8-yl]-3-methylanilino)benzonitrile;3-N,8-N-di(dibenzothiophen-4-yl)-3-N,8-N-bis(3-fluorophenyl)-5-naphthalen-2-ylbenzo[b]carbazole-3,8-diamine;5-(3,5-dimethylphenyl)-3-N,8-N-bis(3-methylphenyl)-3-N,8-N-bis(4-trimethylsilylphenyl)benzo[b]carbazole-3,8-diamine;3-[[8-(3-isocyano-N-(6-trimethylsilyldibenzofuran-4-yl)anilino)-5-phenylbenzo[b]carbazol-3-yl]-(6-methyldibenzofuran-4-yl)amino]benzonitrile;3-N-(6-methyldibenzofuran-4-yl)-3-N,8-N-bis(2-methylphenyl)-5-phenyl-8-N-[6-(trideuteriomethyl)dibenzofuran-4-yl]benzo[b]carbazole-3,8-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-N,8-N-bis(4-methylphenyl)-3-N,8-N-bis(2,3,4,5,6-pentadeuteriophenyl)-5-phenylbenzo[b]carbazole-3,8-diamine;3-N,8-N-bis(3-methylphenyl)-5-naphthalen-2-yl-3-N,8-N-bis(4-propan-2-ylphenyl)benzo[b]carbazole-3,8-diamine;3-N,8-N-bis(3-methylphenyl)-5-(4-phenylphenyl)-3-N,8-N-bis[4-(trifluoromethyl)phenyl]benzo[b]carbazole-3,8-diamine;4-(N-[3-(4-cyano-N-(3-methylphenyl)anilino)-5-naphthalen-1-ylbenzo[b]carbazol-8-yl]-3-methylanilino)benzonitrile;3-N,8-N-di(dibenzothiophen-4-yl)-3-N,8-N-bis(3-fluorophenyl)-5-naphthalen-2-ylbenzo[b]carbazole-3,8-diamine;5-(3,5-dimethylphenyl)-3-N,8-N-bis(3-methylphenyl)-3-N,8-N-bis(4-trimethylsilylphenyl)benzo[b]carbazole-3,8-diamine;3-[[8-(3-isocyano-N-(6-trimethylsilyldibenzofuran-4-yl)anilino)-5-phenylbenzo[b]carbazol-3-yl]-(6-methyldibenzofuran-4-yl)amino]benzonitrile;3-N-(6-methyldibenzofuran-4-yl)-3-N,8-N-bis(2-methylphenyl)-5-phenyl-8-N-[6-(trideuteriomethyl)dibenzofuran-4-yl]benzo[b]carbazole-3,8-diamine?
The IUPAC name of 3-N,8-N-bis(4-methylphenyl)-3-N,8-N-bis(2,3,4,5,6-pentadeuteriophenyl)-5-phenylbenzo[b]carbazole-3,8-diamine;3-N,8-N-bis(3-methylphenyl)-5-naphthalen-2-yl-3-N,8-N-bis(4-propan-2-ylphenyl)benzo[b]carbazole-3,8-diamine;3-N,8-N-bis(3-methylphenyl)-5-(4-phenylphenyl)-3-N,8-N-bis[4-(trifluoromethyl)phenyl]benzo[b]carbazole-3,8-diamine;4-(N-[3-(4-cyano-N-(3-methylphenyl)anilino)-5-naphthalen-1-ylbenzo[b]carbazol-8-yl]-3-methylanilino)benzonitrile;3-N,8-N-di(dibenzothiophen-4-yl)-3-N,8-N-bis(3-fluorophenyl)-5-naphthalen-2-ylbenzo[b]carbazole-3,8-diamine;5-(3,5-dimethylphenyl)-3-N,8-N-bis(3-methylphenyl)-3-N,8-N-bis(4-trimethylsilylphenyl)benzo[b]carbazole-3,8-diamine;3-[[8-(3-isocyano-N-(6-trimethylsilyldibenzofuran-4-yl)anilino)-5-phenylbenzo[b]carbazol-3-yl]-(6-methyldibenzofuran-4-yl)amino]benzonitrile;3-N-(6-methyldibenzofuran-4-yl)-3-N,8-N-bis(2-methylphenyl)-5-phenyl-8-N-[6-(trideuteriomethyl)dibenzofuran-4-yl]benzo[b]carbazole-3,8-diamine (CID 160672474) is 3-N,8-N-bis(4-methylphenyl)-3-N,8-N-bis(2,3,4,5,6-pentadeuteriophenyl)-5-phenylbenzo[b]carbazole-3,8-diamine;3-N,8-N-bis(3-methylphenyl)-5-naphthalen-2-yl-3-N,8-N-bis(4-propan-2-ylphenyl)benzo[b]carbazole-3,8-diamine;3-N,8-N-bis(3-methylphenyl)-5-(4-phenylphenyl)-3-N,8-N-bis[4-(trifluoromethyl)phenyl]benzo[b]carbazole-3,8-diamine;4-(N-[3-(4-cyano-N-(3-methylphenyl)anilino)-5-naphthalen-1-ylbenzo[b]carbazol-8-yl]-3-methylanilino)benzonitrile;3-N,8-N-di(dibenzothiophen-4-yl)-3-N,8-N-bis(3-fluorophenyl)-5-naphthalen-2-ylbenzo[b]carbazole-3,8-diamine;5-(3,5-dimethylphenyl)-3-N,8-N-bis(3-methylphenyl)-3-N,8-N-bis(4-trimethylsilylphenyl)benzo[b]carbazole-3,8-diamine;3-[[8-(3-isocyano-N-(6-trimethylsilyldibenzofuran-4-yl)anilino)-5-phenylbenzo[b]carbazol-3-yl]-(6-methyldibenzofuran-4-yl)amino]benzonitrile;3-N-(6-methyldibenzofuran-4-yl)-3-N,8-N-bis(2-methylphenyl)-5-phenyl-8-N-[6-(trideuteriomethyl)dibenzofuran-4-yl]benzo[b]carbazole-3,8-diamine.
What is the SMILES notation for 3-N,8-N-bis(4-methylphenyl)-3-N,8-N-bis(2,3,4,5,6-pentadeuteriophenyl)-5-phenylbenzo[b]carbazole-3,8-diamine;3-N,8-N-bis(3-methylphenyl)-5-naphthalen-2-yl-3-N,8-N-bis(4-propan-2-ylphenyl)benzo[b]carbazole-3,8-diamine;3-N,8-N-bis(3-methylphenyl)-5-(4-phenylphenyl)-3-N,8-N-bis[4-(trifluoromethyl)phenyl]benzo[b]carbazole-3,8-diamine;4-(N-[3-(4-cyano-N-(3-methylphenyl)anilino)-5-naphthalen-1-ylbenzo[b]carbazol-8-yl]-3-methylanilino)benzonitrile;3-N,8-N-di(dibenzothiophen-4-yl)-3-N,8-N-bis(3-fluorophenyl)-5-naphthalen-2-ylbenzo[b]carbazole-3,8-diamine;5-(3,5-dimethylphenyl)-3-N,8-N-bis(3-methylphenyl)-3-N,8-N-bis(4-trimethylsilylphenyl)benzo[b]carbazole-3,8-diamine;3-[[8-(3-isocyano-N-(6-trimethylsilyldibenzofuran-4-yl)anilino)-5-phenylbenzo[b]carbazol-3-yl]-(6-methyldibenzofuran-4-yl)amino]benzonitrile;3-N-(6-methyldibenzofuran-4-yl)-3-N,8-N-bis(2-methylphenyl)-5-phenyl-8-N-[6-(trideuteriomethyl)dibenzofuran-4-yl]benzo[b]carbazole-3,8-diamine?
The canonical SMILES for 3-N,8-N-bis(4-methylphenyl)-3-N,8-N-bis(2,3,4,5,6-pentadeuteriophenyl)-5-phenylbenzo[b]carbazole-3,8-diamine;3-N,8-N-bis(3-methylphenyl)-5-naphthalen-2-yl-3-N,8-N-bis(4-propan-2-ylphenyl)benzo[b]carbazole-3,8-diamine;3-N,8-N-bis(3-methylphenyl)-5-(4-phenylphenyl)-3-N,8-N-bis[4-(trifluoromethyl)phenyl]benzo[b]carbazole-3,8-diamine;4-(N-[3-(4-cyano-N-(3-methylphenyl)anilino)-5-naphthalen-1-ylbenzo[b]carbazol-8-yl]-3-methylanilino)benzonitrile;3-N,8-N-di(dibenzothiophen-4-yl)-3-N,8-N-bis(3-fluorophenyl)-5-naphthalen-2-ylbenzo[b]carbazole-3,8-diamine;5-(3,5-dimethylphenyl)-3-N,8-N-bis(3-methylphenyl)-3-N,8-N-bis(4-trimethylsilylphenyl)benzo[b]carbazole-3,8-diamine;3-[[8-(3-isocyano-N-(6-trimethylsilyldibenzofuran-4-yl)anilino)-5-phenylbenzo[b]carbazol-3-yl]-(6-methyldibenzofuran-4-yl)amino]benzonitrile;3-N-(6-methyldibenzofuran-4-yl)-3-N,8-N-bis(2-methylphenyl)-5-phenyl-8-N-[6-(trideuteriomethyl)dibenzofuran-4-yl]benzo[b]carbazole-3,8-diamine is Cc1cccc(N(c2ccc(C#N)cc2)c2ccc3cc4c5ccc(N(c6ccc(C#N)cc6)c6cccc(C)c6)cc5n(-c5cccc6ccccc56)c4cc3c2)c1.Cc1cccc(N(c2ccc(C(C)C)cc2)c2ccc3cc4c5ccc(N(c6ccc(C(C)C)cc6)c6cccc(C)c6)cc5n(-c5ccc6ccccc6c5)c4cc3c2)c1.Cc1cccc(N(c2ccc(C(F)(F)F)cc2)c2ccc3cc4c5ccc(N(c6ccc(C(F)(F)F)cc6)c6cccc(C)c6)cc5n(-c5ccc(-c6ccccc6)cc5)c4cc3c2)c1.Cc1cccc(N(c2ccc([Si](C)(C)C)cc2)c2ccc3cc4c5ccc(N(c6ccc([Si](C)(C)C)cc6)c6cccc(C)c6)cc5n(-c5cc(C)cc(C)c5)c4cc3c2)c1.Fc1cccc(N(c2ccc3cc4c5ccc(N(c6cccc(F)c6)c6cccc7c6sc6ccccc67)cc5n(-c5ccc6ccccc6c5)c4cc3c2)c2cccc3c2sc2ccccc23)c1.[2H]C([2H])([2H])c1cccc2c1oc1c(N(c3ccc4cc5c6ccc(N(c7ccccc7C)c7cccc8c7oc7c(C)cccc78)cc6n(-c6ccccc6)c5cc4c3)c3ccccc3C)cccc12.[2H]c1c([2H])c([2H])c(N(c2ccc(C)cc2)c2ccc3cc4c5ccc(N(c6ccc(C)cc6)c6c([2H])c([2H])c([2H])c([2H])c6[2H])cc5n(-c5ccccc5)c4cc3c2)c([2H])c1[2H].[C-]#[N+]c1cccc(N(c2ccc3cc4c5ccc(N(c6cccc(C#N)c6)c6cccc7c6oc6c(C)cccc67)cc5n(-c5ccccc5)c4cc3c2)c2cccc3c2oc2c([Si](C)(C)C)cccc23)c1.
What is the InChIKey of 3-N,8-N-bis(4-methylphenyl)-3-N,8-N-bis(2,3,4,5,6-pentadeuteriophenyl)-5-phenylbenzo[b]carbazole-3,8-diamine;3-N,8-N-bis(3-methylphenyl)-5-naphthalen-2-yl-3-N,8-N-bis(4-propan-2-ylphenyl)benzo[b]carbazole-3,8-diamine;3-N,8-N-bis(3-methylphenyl)-5-(4-phenylphenyl)-3-N,8-N-bis[4-(trifluoromethyl)phenyl]benzo[b]carbazole-3,8-diamine;4-(N-[3-(4-cyano-N-(3-methylphenyl)anilino)-5-naphthalen-1-ylbenzo[b]carbazol-8-yl]-3-methylanilino)benzonitrile;3-N,8-N-di(dibenzothiophen-4-yl)-3-N,8-N-bis(3-fluorophenyl)-5-naphthalen-2-ylbenzo[b]carbazole-3,8-diamine;5-(3,5-dimethylphenyl)-3-N,8-N-bis(3-methylphenyl)-3-N,8-N-bis(4-trimethylsilylphenyl)benzo[b]carbazole-3,8-diamine;3-[[8-(3-isocyano-N-(6-trimethylsilyldibenzofuran-4-yl)anilino)-5-phenylbenzo[b]carbazol-3-yl]-(6-methyldibenzofuran-4-yl)amino]benzonitrile;3-N-(6-methyldibenzofuran-4-yl)-3-N,8-N-bis(2-methylphenyl)-5-phenyl-8-N-[6-(trideuteriomethyl)dibenzofuran-4-yl]benzo[b]carbazole-3,8-diamine?
The InChIKey is RNCIODTZEATAGY-OOXUSBCVSA-N. The full InChI is InChI=1S/C64H45N5O2Si.C62H37F2N3S2.C62H45N3O2.C58H51N3.C56H39F6N3.C56H57N3Si2.C54H37N5.C48H37N3/c1-40-15-9-22-51-52-23-12-26-56(62(52)70-61(40)51)67(46-20-10-16-41(33-46)39-65)49-31-32-50-55-35-42-29-30-48(34-43(42)36-58(55)69(59(50)38-49)45-18-7-6-8-19-45)68(47-21-11-17-44(37-47)66-2)57-27-13-24-53-54-25-14-28-60(72(3,4)5)64(54)71-63(53)57;63-42-13-7-15-44(35-42)65(55-21-9-19-52-50-17-3-5-23-59(50)68-61(52)55)46-28-26-40-33-54-49-30-29-48(37-58(49)67(57(54)34-41(40)32-46)47-27-25-38-11-1-2-12-39(38)31-47)66(45-16-8-14-43(64)36-45)56-22-10-20-53-51-18-4-6-24-60(51)69-62(53)56;1-38-16-8-10-26-53(38)64(55-28-14-24-50-48-22-12-18-40(3)59(48)66-61(50)55)45-31-30-42-35-52-47-33-32-46(37-58(47)63(44-20-6-5-7-21-44)57(52)36-43(42)34-45)65(54-27-11-9-17-39(54)2)56-29-15-25-51-49-23-13-19-41(4)60(49)67-62(51)56;1-38(2)42-17-23-48(24-18-42)59(50-15-9-11-40(5)31-50)52-28-22-46-35-56-55-30-29-54(60(51-16-10-12-41(6)32-51)49-25-19-43(20-26-49)39(3)4)37-58(55)61(57(56)36-47(46)34-52)53-27-21-44-13-7-8-14-45(44)33-53;1-36-8-6-12-47(30-36)63(44-24-17-42(18-25-44)55(57,58)59)49-23-16-40-33-52-51-29-28-50(64(48-13-7-9-37(2)31-48)45-26-19-43(20-27-45)56(60,61)62)35-54(51)65(53(52)34-41(40)32-49)46-21-14-39(15-22-46)38-10-4-3-5-11-38;1-38-13-11-15-46(30-38)57(44-19-24-51(25-20-44)60(5,6)7)48-18-17-42-35-54-53-28-23-49(37-56(53)59(55(54)36-43(42)34-48)50-32-40(3)29-41(4)33-50)58(47-16-12-14-39(2)31-47)45-21-26-52(27-22-45)61(8,9)10;1-36-8-5-12-45(28-36)57(43-21-16-38(34-55)17-22-43)47-25-20-41-31-51-50-27-26-48(58(46-13-6-9-37(2)29-46)44-23-18-39(35-56)19-24-44)33-54(50)59(53(51)32-42(41)30-47)52-15-7-11-40-10-3-4-14-49(40)52;1-34-18-23-41(24-19-34)49(38-12-6-3-7-13-38)43-27-22-36-31-46-45-29-28-44(50(39-14-8-4-9-15-39)42-25-20-35(2)21-26-42)33-48(45)51(40-16-10-5-11-17-40)47(46)32-37(36)30-43/h6-38H,1,3-5H3;1-37H;5-37H,1-4H3;7-39H,1-6H3;3-35H,1-2H3;11-37H,1-10H3;3-33H,1-2H3;3-33H,1-2H3/i;;3D3;;;;;3D,4D,6D,7D,8D,9D,12D,13D,14D,15D.
What are the key properties of 3-N,8-N-bis(4-methylphenyl)-3-N,8-N-bis(2,3,4,5,6-pentadeuteriophenyl)-5-phenylbenzo[b]carbazole-3,8-diamine;3-N,8-N-bis(3-methylphenyl)-5-naphthalen-2-yl-3-N,8-N-bis(4-propan-2-ylphenyl)benzo[b]carbazole-3,8-diamine;3-N,8-N-bis(3-methylphenyl)-5-(4-phenylphenyl)-3-N,8-N-bis[4-(trifluoromethyl)phenyl]benzo[b]carbazole-3,8-diamine;4-(N-[3-(4-cyano-N-(3-methylphenyl)anilino)-5-naphthalen-1-ylbenzo[b]carbazol-8-yl]-3-methylanilino)benzonitrile;3-N,8-N-di(dibenzothiophen-4-yl)-3-N,8-N-bis(3-fluorophenyl)-5-naphthalen-2-ylbenzo[b]carbazole-3,8-diamine;5-(3,5-dimethylphenyl)-3-N,8-N-bis(3-methylphenyl)-3-N,8-N-bis(4-trimethylsilylphenyl)benzo[b]carbazole-3,8-diamine;3-[[8-(3-isocyano-N-(6-trimethylsilyldibenzofuran-4-yl)anilino)-5-phenylbenzo[b]carbazol-3-yl]-(6-methyldibenzofuran-4-yl)amino]benzonitrile;3-N-(6-methyldibenzofuran-4-yl)-3-N,8-N-bis(2-methylphenyl)-5-phenyl-8-N-[6-(trideuteriomethyl)dibenzofuran-4-yl]benzo[b]carbazole-3,8-diamine?
3-N,8-N-bis(4-methylphenyl)-3-N,8-N-bis(2,3,4,5,6-pentadeuteriophenyl)-5-phenylbenzo[b]carbazole-3,8-diamine;3-N,8-N-bis(3-methylphenyl)-5-naphthalen-2-yl-3-N,8-N-bis(4-propan-2-ylphenyl)benzo[b]carbazole-3,8-diamine;3-N,8-N-bis(3-methylphenyl)-5-(4-phenylphenyl)-3-N,8-N-bis[4-(trifluoromethyl)phenyl]benzo[b]carbazole-3,8-diamine;4-(N-[3-(4-cyano-N-(3-methylphenyl)anilino)-5-naphthalen-1-ylbenzo[b]carbazol-8-yl]-3-methylanilino)benzonitrile;3-N,8-N-di(dibenzothiophen-4-yl)-3-N,8-N-bis(3-fluorophenyl)-5-naphthalen-2-ylbenzo[b]carbazole-3,8-diamine;5-(3,5-dimethylphenyl)-3-N,8-N-bis(3-methylphenyl)-3-N,8-N-bis(4-trimethylsilylphenyl)benzo[b]carbazole-3,8-diamine;3-[[8-(3-isocyano-N-(6-trimethylsilyldibenzofuran-4-yl)anilino)-5-phenylbenzo[b]carbazol-3-yl]-(6-methyldibenzofuran-4-yl)amino]benzonitrile;3-N-(6-methyldibenzofuran-4-yl)-3-N,8-N-bis(2-methylphenyl)-5-phenyl-8-N-[6-(trideuteriomethyl)dibenzofuran-4-yl]benzo[b]carbazole-3,8-diamine has a molecular weight of 6645.49 g/mol, XLogP of 132.08, 63 rotatable bonds, 0 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,8-N-bis(4-methylphenyl)-3-N,8-N-bis(2,3,4,5,6-pentadeuteriophenyl)-5-phenylbenzo[b]carbazole-3,8-diamine;3-N,8-N-bis(3-methylphenyl)-5-naphthalen-2-yl-3-N,8-N-bis(4-propan-2-ylphenyl)benzo[b]carbazole-3,8-diamine;3-N,8-N-bis(3-methylphenyl)-5-(4-phenylphenyl)-3-N,8-N-bis[4-(trifluoromethyl)phenyl]benzo[b]carbazole-3,8-diamine;4-(N-[3-(4-cyano-N-(3-methylphenyl)anilino)-5-naphthalen-1-ylbenzo[b]carbazol-8-yl]-3-methylanilino)benzonitrile;3-N,8-N-di(dibenzothiophen-4-yl)-3-N,8-N-bis(3-fluorophenyl)-5-naphthalen-2-ylbenzo[b]carbazole-3,8-diamine;5-(3,5-dimethylphenyl)-3-N,8-N-bis(3-methylphenyl)-3-N,8-N-bis(4-trimethylsilylphenyl)benzo[b]carbazole-3,8-diamine;3-[[8-(3-isocyano-N-(6-trimethylsilyldibenzofuran-4-yl)anilino)-5-phenylbenzo[b]carbazol-3-yl]-(6-methyldibenzofuran-4-yl)amino]benzonitrile;3-N-(6-methyldibenzofuran-4-yl)-3-N,8-N-bis(2-methylphenyl)-5-phenyl-8-N-[6-(trideuteriomethyl)dibenzofuran-4-yl]benzo[b]carbazole-3,8-diamine is sourced from PubChem (CID 160672474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).