3-N,8-N-bis(6-tert-butyldibenzofuran-4-yl)-5-phenyl-3-N,8-N-bis[4-(trifluoromethoxy)phenyl]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(2-methylphenyl)-3-N,8-N-diphenyl-5-(3-phenylphenyl)benzo[b]carbazole-3,8-diamine;3-N,8-N-bis(4-methylphenyl)-5-phenyl-3-N,8-N-bis(4-trimethylsilylphenyl)benzo[b]carbazole-3,8-diamine;3-N,8-N-bis(3-methylphenyl)-3-N,8-N,5-triphenylbenzo[b]carbazole-3,8-diamine;4-[dibenzofuran-4-yl-[8-(N-dibenzofuran-4-yl-4-isocyanoanilino)-5-(4-fluorophenyl)benzo[b]carbazol-3-yl]amino]benzonitrile;4-[dibenzothiophen-4-yl-[8-(N-dibenzothiophen-4-yl-4-isocyanoanilino)-5-phenylbenzo[b]carbazol-3-yl]amino]benzonitrile;3-N,8-N-di(dibenzofuran-4-yl)-3-N,8-N-bis(2-fluorophenyl)-5-(4-phenylphenyl)benzo[b]carbazole-3,8-diamine
C456H327F9N28O8S2Si2 — CID 158639073
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC3-N,8-N-bis(6-tert-butyldibenzofuran-4-yl)-5-phenyl-3-N,8-N-bis[4-(trifluoromethoxy)phenyl]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(2-methylphenyl)-3-N,8-N-diphenyl-5-(3-phenylphenyl)benzo[b]carbazole-3,8-diamine;3-N,8-N-bis(4-methylphenyl)-5-phenyl-3-N,8-N-bis(4-trimethylsilylphenyl)benzo[b]carbazole-3,8-diamine;3-N,8-N-bis(3-methylphenyl)-3-N,8-N,5-triphenylbenzo[b]carbazole-3,8-diamine;4-[dibenzofuran-4-yl-[8-(N-dibenzofuran-4-yl-4-isocyanoanilino)-5-(4-fluorophenyl)benzo[b]carbazol-3-yl]amino]benzonitrile;4-[dibenzothiophen-4-yl-[8-(N-dibenzothiophen-4-yl-4-isocyanoanilino)-5-phenylbenzo[b]carbazol-3-yl]amino]benzonitrile;3-N,8-N-di(dibenzofuran-4-yl)-3-N,8-N-bis(2-fluorophenyl)-5-(4-phenylphenyl)benzo[b]carbazole-3,8-diamine
SMILESCC(C)(C)c1cccc2c1oc1c(N(c3ccc(OC(F)(F)F)cc3)c3ccc4cc5c6ccc(N(c7ccc(OC(F)(F)F)cc7)c7cccc8c7oc7c(C(C)(C)C)cccc78)cc6n(-c6ccccc6)c5cc4c3)cccc12.Cc1ccc(N(c2ccc([Si](C)(C)C)cc2)c2ccc3cc4c5ccc(N(c6ccc(C)cc6)c6ccc([Si](C)(C)C)cc6)cc5n(-c5ccccc5)c4cc3c2)cc1.Cc1cccc(N(c2ccccc2)c2ccc3cc4c5ccc(N(c6ccccc6)c6cccc(C)c6)cc5n(-c5ccccc5)c4cc3c2)c1.Cc1ccccc1N(c1ccccc1)c1ccc2cc3c4ccc(N(c5ccccc5)c5ccccc5C)cc4n(-c4cccc(-c5ccccc5)c4)c3cc2c1.Fc1ccccc1N(c1ccc2cc3c4ccc(N(c5ccccc5F)c5cccc6c5oc5ccccc56)cc4n(-c4ccc(-c5ccccc5)cc4)c3cc2c1)c1cccc2c1oc1ccccc12.[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+]c1ccc(N(c2ccc3cc4c5ccc(N(c6ccc(C#N)cc6)c6cccc7c6oc6ccccc67)cc5n(-c5ccc(F)cc5)c4cc3c2)c2cccc3c2oc2ccccc23)cc1.[C-]#[N+]c1ccc(N(c2ccc3cc4c5ccc(N(c6ccc(C#N)cc6)c6cccc7c6sc6ccccc67)cc5n(-c5ccccc5)c4cc3c2)c2cccc3c2sc2ccccc23)cc1
InChIInChI=1S/C68H51F6N3O4.C64H39F2N3O2.C60H34FN5O2.C60H35N5S2.C54H53N3Si2.C54H41N3.2C48H37N3/c1-65(2,3)55-20-10-16-50-52-18-12-22-57(63(52)78-61(50)55)75(43-26-31-47(32-27-43)80-67(69,70)71)45-25-24-40-37-54-49-35-30-46(39-60(49)77(42-14-8-7-9-15-42)59(54)38-41(40)36-45)76(44-28-33-48(34-29-44)81-68(72,73)74)58-23-13-19-53-51-17-11-21-56(66(4,5)6)62(51)79-64(53)58;65-53-20-6-8-22-55(53)68(57-24-12-18-50-48-16-4-10-26-61(48)70-63(50)57)45-33-30-42-37-52-47-35-34-46(39-60(47)67(59(52)38-43(42)36-45)44-31-28-41(29-32-44)40-14-2-1-3-15-40)69(56-23-9-7-21-54(56)66)58-25-13-19-51-49-17-5-11-27-62(49)71-64(51)58;1-63-41-21-28-43(29-22-41)64(53-12-6-10-50-48-8-2-4-14-57(48)67-59(50)53)45-25-18-38-33-52-47-31-30-46(35-56(47)66(55(52)34-39(38)32-45)44-26-19-40(61)20-27-44)65(42-23-16-37(36-62)17-24-42)54-13-7-11-51-49-9-3-5-15-58(49)68-60(51)54;1-62-41-24-29-44(30-25-41)63(53-17-9-15-50-48-13-5-7-19-57(48)66-59(50)53)45-28-23-39-34-52-47-32-31-46(36-56(47)65(42-11-3-2-4-12-42)55(52)35-40(39)33-45)64(43-26-21-38(37-61)22-27-43)54-18-10-16-51-49-14-6-8-20-58(49)67-60(51)54;1-38-14-19-43(20-15-38)55(45-24-29-49(30-25-45)58(3,4)5)47-23-18-40-35-52-51-33-28-48(37-54(51)57(42-12-10-9-11-13-42)53(52)36-41(40)34-47)56(44-21-16-39(2)17-22-44)46-26-31-50(32-27-46)59(6,7)8;1-38-17-12-14-27-51(38)55(44-22-8-4-9-23-44)47-30-29-42-35-50-49-32-31-48(56(45-24-10-5-11-25-45)52-28-15-13-18-39(52)2)37-54(49)57(53(50)36-43(42)34-47)46-26-16-21-41(33-46)40-19-6-3-7-20-40;1-34-14-12-22-41(28-34)49(38-16-6-3-7-17-38)43-25-24-36-31-46-45-27-26-44(50(39-18-8-4-9-19-39)42-23-13-15-35(2)29-42)33-48(45)51(40-20-10-5-11-21-40)47(46)32-37(36)30-43;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/h7-39H,1-6H3;1-39H;2-35H;2-36H;9-37H,1-8H3;3-37H,1-2H3;2*3-33H,1-2H3/i;;;;;;;3D,4D,6D,7D,8D,9D,12D,13D,14D,15D
InChIKeyIADKAIVCZHWNAI-LOSVESKTSA-N
MW6628.17 g/mol
LogP131.69
Rot. Bonds62
About 3-N,8-N-bis(6-tert-butyldibenzofuran-4-yl)-5-phenyl-3-N,8-N-bis[4-(trifluoromethoxy)phenyl]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(2-methylphenyl)-3-N,8-N-diphenyl-5-(3-phenylphenyl)benzo[b]carbazole-3,8-diamine;3-N,8-N-bis(4-methylphenyl)-5-phenyl-3-N,8-N-bis(4-trimethylsilylphenyl)benzo[b]carbazole-3,8-diamine;3-N,8-N-bis(3-methylphenyl)-3-N,8-N,5-triphenylbenzo[b]carbazole-3,8-diamine;4-[dibenzofuran-4-yl-[8-(N-dibenzofuran-4-yl-4-isocyanoanilino)-5-(4-fluorophenyl)benzo[b]carbazol-3-yl]amino]benzonitrile;4-[dibenzothiophen-4-yl-[8-(N-dibenzothiophen-4-yl-4-isocyanoanilino)-5-phenylbenzo[b]carbazol-3-yl]amino]benzonitrile;3-N,8-N-di(dibenzofuran-4-yl)-3-N,8-N-bis(2-fluorophenyl)-5-(4-phenylphenyl)benzo[b]carbazole-3,8-diamine
3-N,8-N-bis(6-tert-butyldibenzofuran-4-yl)-5-phenyl-3-N,8-N-bis[4-(trifluoromethoxy)phenyl]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(2-methylphenyl)-3-N,8-N-diphenyl-5-(3-phenylphenyl)benzo[b]carbazole-3,8-diamine;3-N,8-N-bis(4-methylphenyl)-5-phenyl-3-N,8-N-bis(4-trimethylsilylphenyl)benzo[b]carbazole-3,8-diamine;3-N,8-N-bis(3-methylphenyl)-3-N,8-N,5-triphenylbenzo[b]carbazole-3,8-diamine;4-[dibenzofuran-4-yl-[8-(N-dibenzofuran-4-yl-4-isocyanoanilino)-5-(4-fluorophenyl)benzo[b]carbazol-3-yl]amino]benzonitrile;4-[dibenzothiophen-4-yl-[8-(N-dibenzothiophen-4-yl-4-isocyanoanilino)-5-phenylbenzo[b]carbazol-3-yl]amino]benzonitrile;3-N,8-N-di(dibenzofuran-4-yl)-3-N,8-N-bis(2-fluorophenyl)-5-(4-phenylphenyl)benzo[b]carbazole-3,8-diamine (PubChem CID 158639073) has the molecular formula C456H327F9N28O8S2Si2 and a molecular weight of 6628.17 g/mol. Its IUPAC name is 3-N,8-N-bis(6-tert-butyldibenzofuran-4-yl)-5-phenyl-3-N,8-N-bis[4-(trifluoromethoxy)phenyl]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(2-methylphenyl)-3-N,8-N-diphenyl-5-(3-phenylphenyl)benzo[b]carbazole-3,8-diamine;3-N,8-N-bis(4-methylphenyl)-5-phenyl-3-N,8-N-bis(4-trimethylsilylphenyl)benzo[b]carbazole-3,8-diamine;3-N,8-N-bis(3-methylphenyl)-3-N,8-N,5-triphenylbenzo[b]carbazole-3,8-diamine;4-[dibenzofuran-4-yl-[8-(N-dibenzofuran-4-yl-4-isocyanoanilino)-5-(4-fluorophenyl)benzo[b]carbazol-3-yl]amino]benzonitrile;4-[dibenzothiophen-4-yl-[8-(N-dibenzothiophen-4-yl-4-isocyanoanilino)-5-phenylbenzo[b]carbazol-3-yl]amino]benzonitrile;3-N,8-N-di(dibenzofuran-4-yl)-3-N,8-N-bis(2-fluorophenyl)-5-(4-phenylphenyl)benzo[b]carbazole-3,8-diamine.
Molecular Properties
| Compound Name | 3-N,8-N-bis(6-tert-butyldibenzofuran-4-yl)-5-phenyl-3-N,8-N-bis[4-(trifluoromethoxy)phenyl]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(2-methylphenyl)-3-N,8-N-diphenyl-5-(3-phenylphenyl)benzo[b]carbazole-3,8-diamine;3-N,8-N-bis(4-methylphenyl)-5-phenyl-3-N,8-N-bis(4-trimethylsilylphenyl)benzo[b]carbazole-3,8-diamine;3-N,8-N-bis(3-methylphenyl)-3-N,8-N,5-triphenylbenzo[b]carbazole-3,8-diamine;4-[dibenzofuran-4-yl-[8-(N-dibenzofuran-4-yl-4-isocyanoanilino)-5-(4-fluorophenyl)benzo[b]carbazol-3-yl]amino]benzonitrile;4-[dibenzothiophen-4-yl-[8-(N-dibenzothiophen-4-yl-4-isocyanoanilino)-5-phenylbenzo[b]carbazol-3-yl]amino]benzonitrile;3-N,8-N-di(dibenzofuran-4-yl)-3-N,8-N-bis(2-fluorophenyl)-5-(4-phenylphenyl)benzo[b]carbazole-3,8-diamine |
|---|---|
| PubChem CID | 158639073 |
| Molecular Formula | C456H327F9N28O8S2Si2 |
| Molecular Weight | 6628.17 g/mol |
| Exact Mass | 6622.55 |
| IUPAC Name | 3-N,8-N-bis(6-tert-butyldibenzofuran-4-yl)-5-phenyl-3-N,8-N-bis[4-(trifluoromethoxy)phenyl]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(2-methylphenyl)-3-N,8-N-diphenyl-5-(3-phenylphenyl)benzo[b]carbazole-3,8-diamine;3-N,8-N-bis(4-methylphenyl)-5-phenyl-3-N,8-N-bis(4-trimethylsilylphenyl)benzo[b]carbazole-3,8-diamine;3-N,8-N-bis(3-methylphenyl)-3-N,8-N,5-triphenylbenzo[b]carbazole-3,8-diamine;4-[dibenzofuran-4-yl-[8-(N-dibenzofuran-4-yl-4-isocyanoanilino)-5-(4-fluorophenyl)benzo[b]carbazol-3-yl]amino]benzonitrile;4-[dibenzothiophen-4-yl-[8-(N-dibenzothiophen-4-yl-4-isocyanoanilino)-5-phenylbenzo[b]carbazol-3-yl]amino]benzonitrile;3-N,8-N-di(dibenzofuran-4-yl)-3-N,8-N-bis(2-fluorophenyl)-5-(4-phenylphenyl)benzo[b]carbazole-3,8-diamine |
| SMILES | CC(C)(C)c1cccc2c1oc1c(N(c3ccc(OC(F)(F)F)cc3)c3ccc4cc5c6ccc(N(c7ccc(OC(F)(F)F)cc7)c7cccc8c7oc7c(C(C)(C)C)cccc78)cc6n(-c6ccccc6)c5cc4c3)cccc12.Cc1ccc(N(c2ccc([Si](C)(C)C)cc2)c2ccc3cc4c5ccc(N(c6ccc(C)cc6)c6ccc([Si](C)(C)C)cc6)cc5n(-c5ccccc5)c4cc3c2)cc1.Cc1cccc(N(c2ccccc2)c2ccc3cc4c5ccc(N(c6ccccc6)c6cccc(C)c6)cc5n(-c5ccccc5)c4cc3c2)c1.Cc1ccccc1N(c1ccccc1)c1ccc2cc3c4ccc(N(c5ccccc5)c5ccccc5C)cc4n(-c4cccc(-c5ccccc5)c4)c3cc2c1.Fc1ccccc1N(c1ccc2cc3c4ccc(N(c5ccccc5F)c5cccc6c5oc5ccccc56)cc4n(-c4ccc(-c5ccccc5)cc4)c3cc2c1)c1cccc2c1oc1ccccc12.[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+]c1ccc(N(c2ccc3cc4c5ccc(N(c6ccc(C#N)cc6)c6cccc7c6oc6ccccc67)cc5n(-c5ccc(F)cc5)c4cc3c2)c2cccc3c2oc2ccccc23)cc1.[C-]#[N+]c1ccc(N(c2ccc3cc4c5ccc(N(c6ccc(C#N)cc6)c6cccc7c6sc6ccccc67)cc5n(-c5ccccc5)c4cc3c2)c2cccc3c2sc2ccccc23)cc1 |
| InChI | InChI=1S/C68H51F6N3O4.C64H39F2N3O2.C60H34FN5O2.C60H35N5S2.C54H53N3Si2.C54H41N3.2C48H37N3/c1-65(2,3)55-20-10-16-50-52-18-12-22-57(63(52)78-61(50)55)75(43-26-31-47(32-27-43)80-67(69,70)71)45-25-24-40-37-54-49-35-30-46(39-60(49)77(42-14-8-7-9-15-42)59(54)38-41(40)36-45)76(44-28-33-48(34-29-44)81-68(72,73)74)58-23-13-19-53-51-17-11-21-56(66(4,5)6)62(51)79-64(53)58;65-53-20-6-8-22-55(53)68(57-24-12-18-50-48-16-4-10-26-61(48)70-63(50)57)45-33-30-42-37-52-47-35-34-46(39-60(47)67(59(52)38-43(42)36-45)44-31-28-41(29-32-44)40-14-2-1-3-15-40)69(56-23-9-7-21-54(56)66)58-25-13-19-51-49-17-5-11-27-62(49)71-64(51)58;1-63-41-21-28-43(29-22-41)64(53-12-6-10-50-48-8-2-4-14-57(48)67-59(50)53)45-25-18-38-33-52-47-31-30-46(35-56(47)66(55(52)34-39(38)32-45)44-26-19-40(61)20-27-44)65(42-23-16-37(36-62)17-24-42)54-13-7-11-51-49-9-3-5-15-58(49)68-60(51)54;1-62-41-24-29-44(30-25-41)63(53-17-9-15-50-48-13-5-7-19-57(48)66-59(50)53)45-28-23-39-34-52-47-32-31-46(36-56(47)65(42-11-3-2-4-12-42)55(52)35-40(39)33-45)64(43-26-21-38(37-61)22-27-43)54-18-10-16-51-49-14-6-8-20-58(49)67-60(51)54;1-38-14-19-43(20-15-38)55(45-24-29-49(30-25-45)58(3,4)5)47-23-18-40-35-52-51-33-28-48(37-54(51)57(42-12-10-9-11-13-42)53(52)36-41(40)34-47)56(44-21-16-39(2)17-22-44)46-26-31-50(32-27-46)59(6,7)8;1-38-17-12-14-27-51(38)55(44-22-8-4-9-23-44)47-30-29-42-35-50-49-32-31-48(56(45-24-10-5-11-25-45)52-28-15-13-18-39(52)2)37-54(49)57(53(50)36-43(42)34-47)46-26-16-21-41(33-46)40-19-6-3-7-20-40;1-34-14-12-22-41(28-34)49(38-16-6-3-7-17-38)43-25-24-36-31-46-45-27-26-44(50(39-18-8-4-9-19-39)42-23-13-15-35(2)29-42)33-48(45)51(40-20-10-5-11-21-40)47(46)32-37(36)30-43;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/h7-39H,1-6H3;1-39H;2-35H;2-36H;9-37H,1-8H3;3-37H,1-2H3;2*3-33H,1-2H3/i;;;;;;;3D,4D,6D,7D,8D,9D,12D,13D,14D,15D |
| InChIKey | IADKAIVCZHWNAI-LOSVESKTSA-N |
| XLogP | 131.69 |
| TPSA | 244.88 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 36 |
| Rotatable Bonds | 62 |
| Heavy Atoms | 505 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 6628.17 |
| LogP ≤ 5 | 131.69 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 36 |
Frequently Asked Questions
What is the IUPAC name of 3-N,8-N-bis(6-tert-butyldibenzofuran-4-yl)-5-phenyl-3-N,8-N-bis[4-(trifluoromethoxy)phenyl]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(2-methylphenyl)-3-N,8-N-diphenyl-5-(3-phenylphenyl)benzo[b]carbazole-3,8-diamine;3-N,8-N-bis(4-methylphenyl)-5-phenyl-3-N,8-N-bis(4-trimethylsilylphenyl)benzo[b]carbazole-3,8-diamine;3-N,8-N-bis(3-methylphenyl)-3-N,8-N,5-triphenylbenzo[b]carbazole-3,8-diamine;4-[dibenzofuran-4-yl-[8-(N-dibenzofuran-4-yl-4-isocyanoanilino)-5-(4-fluorophenyl)benzo[b]carbazol-3-yl]amino]benzonitrile;4-[dibenzothiophen-4-yl-[8-(N-dibenzothiophen-4-yl-4-isocyanoanilino)-5-phenylbenzo[b]carbazol-3-yl]amino]benzonitrile;3-N,8-N-di(dibenzofuran-4-yl)-3-N,8-N-bis(2-fluorophenyl)-5-(4-phenylphenyl)benzo[b]carbazole-3,8-diamine?
The IUPAC name of 3-N,8-N-bis(6-tert-butyldibenzofuran-4-yl)-5-phenyl-3-N,8-N-bis[4-(trifluoromethoxy)phenyl]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(2-methylphenyl)-3-N,8-N-diphenyl-5-(3-phenylphenyl)benzo[b]carbazole-3,8-diamine;3-N,8-N-bis(4-methylphenyl)-5-phenyl-3-N,8-N-bis(4-trimethylsilylphenyl)benzo[b]carbazole-3,8-diamine;3-N,8-N-bis(3-methylphenyl)-3-N,8-N,5-triphenylbenzo[b]carbazole-3,8-diamine;4-[dibenzofuran-4-yl-[8-(N-dibenzofuran-4-yl-4-isocyanoanilino)-5-(4-fluorophenyl)benzo[b]carbazol-3-yl]amino]benzonitrile;4-[dibenzothiophen-4-yl-[8-(N-dibenzothiophen-4-yl-4-isocyanoanilino)-5-phenylbenzo[b]carbazol-3-yl]amino]benzonitrile;3-N,8-N-di(dibenzofuran-4-yl)-3-N,8-N-bis(2-fluorophenyl)-5-(4-phenylphenyl)benzo[b]carbazole-3,8-diamine (CID 158639073) is 3-N,8-N-bis(6-tert-butyldibenzofuran-4-yl)-5-phenyl-3-N,8-N-bis[4-(trifluoromethoxy)phenyl]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(2-methylphenyl)-3-N,8-N-diphenyl-5-(3-phenylphenyl)benzo[b]carbazole-3,8-diamine;3-N,8-N-bis(4-methylphenyl)-5-phenyl-3-N,8-N-bis(4-trimethylsilylphenyl)benzo[b]carbazole-3,8-diamine;3-N,8-N-bis(3-methylphenyl)-3-N,8-N,5-triphenylbenzo[b]carbazole-3,8-diamine;4-[dibenzofuran-4-yl-[8-(N-dibenzofuran-4-yl-4-isocyanoanilino)-5-(4-fluorophenyl)benzo[b]carbazol-3-yl]amino]benzonitrile;4-[dibenzothiophen-4-yl-[8-(N-dibenzothiophen-4-yl-4-isocyanoanilino)-5-phenylbenzo[b]carbazol-3-yl]amino]benzonitrile;3-N,8-N-di(dibenzofuran-4-yl)-3-N,8-N-bis(2-fluorophenyl)-5-(4-phenylphenyl)benzo[b]carbazole-3,8-diamine.
What is the SMILES notation for 3-N,8-N-bis(6-tert-butyldibenzofuran-4-yl)-5-phenyl-3-N,8-N-bis[4-(trifluoromethoxy)phenyl]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(2-methylphenyl)-3-N,8-N-diphenyl-5-(3-phenylphenyl)benzo[b]carbazole-3,8-diamine;3-N,8-N-bis(4-methylphenyl)-5-phenyl-3-N,8-N-bis(4-trimethylsilylphenyl)benzo[b]carbazole-3,8-diamine;3-N,8-N-bis(3-methylphenyl)-3-N,8-N,5-triphenylbenzo[b]carbazole-3,8-diamine;4-[dibenzofuran-4-yl-[8-(N-dibenzofuran-4-yl-4-isocyanoanilino)-5-(4-fluorophenyl)benzo[b]carbazol-3-yl]amino]benzonitrile;4-[dibenzothiophen-4-yl-[8-(N-dibenzothiophen-4-yl-4-isocyanoanilino)-5-phenylbenzo[b]carbazol-3-yl]amino]benzonitrile;3-N,8-N-di(dibenzofuran-4-yl)-3-N,8-N-bis(2-fluorophenyl)-5-(4-phenylphenyl)benzo[b]carbazole-3,8-diamine?
The canonical SMILES for 3-N,8-N-bis(6-tert-butyldibenzofuran-4-yl)-5-phenyl-3-N,8-N-bis[4-(trifluoromethoxy)phenyl]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(2-methylphenyl)-3-N,8-N-diphenyl-5-(3-phenylphenyl)benzo[b]carbazole-3,8-diamine;3-N,8-N-bis(4-methylphenyl)-5-phenyl-3-N,8-N-bis(4-trimethylsilylphenyl)benzo[b]carbazole-3,8-diamine;3-N,8-N-bis(3-methylphenyl)-3-N,8-N,5-triphenylbenzo[b]carbazole-3,8-diamine;4-[dibenzofuran-4-yl-[8-(N-dibenzofuran-4-yl-4-isocyanoanilino)-5-(4-fluorophenyl)benzo[b]carbazol-3-yl]amino]benzonitrile;4-[dibenzothiophen-4-yl-[8-(N-dibenzothiophen-4-yl-4-isocyanoanilino)-5-phenylbenzo[b]carbazol-3-yl]amino]benzonitrile;3-N,8-N-di(dibenzofuran-4-yl)-3-N,8-N-bis(2-fluorophenyl)-5-(4-phenylphenyl)benzo[b]carbazole-3,8-diamine is CC(C)(C)c1cccc2c1oc1c(N(c3ccc(OC(F)(F)F)cc3)c3ccc4cc5c6ccc(N(c7ccc(OC(F)(F)F)cc7)c7cccc8c7oc7c(C(C)(C)C)cccc78)cc6n(-c6ccccc6)c5cc4c3)cccc12.Cc1ccc(N(c2ccc([Si](C)(C)C)cc2)c2ccc3cc4c5ccc(N(c6ccc(C)cc6)c6ccc([Si](C)(C)C)cc6)cc5n(-c5ccccc5)c4cc3c2)cc1.Cc1cccc(N(c2ccccc2)c2ccc3cc4c5ccc(N(c6ccccc6)c6cccc(C)c6)cc5n(-c5ccccc5)c4cc3c2)c1.Cc1ccccc1N(c1ccccc1)c1ccc2cc3c4ccc(N(c5ccccc5)c5ccccc5C)cc4n(-c4cccc(-c5ccccc5)c4)c3cc2c1.Fc1ccccc1N(c1ccc2cc3c4ccc(N(c5ccccc5F)c5cccc6c5oc5ccccc56)cc4n(-c4ccc(-c5ccccc5)cc4)c3cc2c1)c1cccc2c1oc1ccccc12.[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+]c1ccc(N(c2ccc3cc4c5ccc(N(c6ccc(C#N)cc6)c6cccc7c6oc6ccccc67)cc5n(-c5ccc(F)cc5)c4cc3c2)c2cccc3c2oc2ccccc23)cc1.[C-]#[N+]c1ccc(N(c2ccc3cc4c5ccc(N(c6ccc(C#N)cc6)c6cccc7c6sc6ccccc67)cc5n(-c5ccccc5)c4cc3c2)c2cccc3c2sc2ccccc23)cc1.
What is the InChIKey of 3-N,8-N-bis(6-tert-butyldibenzofuran-4-yl)-5-phenyl-3-N,8-N-bis[4-(trifluoromethoxy)phenyl]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(2-methylphenyl)-3-N,8-N-diphenyl-5-(3-phenylphenyl)benzo[b]carbazole-3,8-diamine;3-N,8-N-bis(4-methylphenyl)-5-phenyl-3-N,8-N-bis(4-trimethylsilylphenyl)benzo[b]carbazole-3,8-diamine;3-N,8-N-bis(3-methylphenyl)-3-N,8-N,5-triphenylbenzo[b]carbazole-3,8-diamine;4-[dibenzofuran-4-yl-[8-(N-dibenzofuran-4-yl-4-isocyanoanilino)-5-(4-fluorophenyl)benzo[b]carbazol-3-yl]amino]benzonitrile;4-[dibenzothiophen-4-yl-[8-(N-dibenzothiophen-4-yl-4-isocyanoanilino)-5-phenylbenzo[b]carbazol-3-yl]amino]benzonitrile;3-N,8-N-di(dibenzofuran-4-yl)-3-N,8-N-bis(2-fluorophenyl)-5-(4-phenylphenyl)benzo[b]carbazole-3,8-diamine?
The InChIKey is IADKAIVCZHWNAI-LOSVESKTSA-N. The full InChI is InChI=1S/C68H51F6N3O4.C64H39F2N3O2.C60H34FN5O2.C60H35N5S2.C54H53N3Si2.C54H41N3.2C48H37N3/c1-65(2,3)55-20-10-16-50-52-18-12-22-57(63(52)78-61(50)55)75(43-26-31-47(32-27-43)80-67(69,70)71)45-25-24-40-37-54-49-35-30-46(39-60(49)77(42-14-8-7-9-15-42)59(54)38-41(40)36-45)76(44-28-33-48(34-29-44)81-68(72,73)74)58-23-13-19-53-51-17-11-21-56(66(4,5)6)62(51)79-64(53)58;65-53-20-6-8-22-55(53)68(57-24-12-18-50-48-16-4-10-26-61(48)70-63(50)57)45-33-30-42-37-52-47-35-34-46(39-60(47)67(59(52)38-43(42)36-45)44-31-28-41(29-32-44)40-14-2-1-3-15-40)69(56-23-9-7-21-54(56)66)58-25-13-19-51-49-17-5-11-27-62(49)71-64(51)58;1-63-41-21-28-43(29-22-41)64(53-12-6-10-50-48-8-2-4-14-57(48)67-59(50)53)45-25-18-38-33-52-47-31-30-46(35-56(47)66(55(52)34-39(38)32-45)44-26-19-40(61)20-27-44)65(42-23-16-37(36-62)17-24-42)54-13-7-11-51-49-9-3-5-15-58(49)68-60(51)54;1-62-41-24-29-44(30-25-41)63(53-17-9-15-50-48-13-5-7-19-57(48)66-59(50)53)45-28-23-39-34-52-47-32-31-46(36-56(47)65(42-11-3-2-4-12-42)55(52)35-40(39)33-45)64(43-26-21-38(37-61)22-27-43)54-18-10-16-51-49-14-6-8-20-58(49)67-60(51)54;1-38-14-19-43(20-15-38)55(45-24-29-49(30-25-45)58(3,4)5)47-23-18-40-35-52-51-33-28-48(37-54(51)57(42-12-10-9-11-13-42)53(52)36-41(40)34-47)56(44-21-16-39(2)17-22-44)46-26-31-50(32-27-46)59(6,7)8;1-38-17-12-14-27-51(38)55(44-22-8-4-9-23-44)47-30-29-42-35-50-49-32-31-48(56(45-24-10-5-11-25-45)52-28-15-13-18-39(52)2)37-54(49)57(53(50)36-43(42)34-47)46-26-16-21-41(33-46)40-19-6-3-7-20-40;1-34-14-12-22-41(28-34)49(38-16-6-3-7-17-38)43-25-24-36-31-46-45-27-26-44(50(39-18-8-4-9-19-39)42-23-13-15-35(2)29-42)33-48(45)51(40-20-10-5-11-21-40)47(46)32-37(36)30-43;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/h7-39H,1-6H3;1-39H;2-35H;2-36H;9-37H,1-8H3;3-37H,1-2H3;2*3-33H,1-2H3/i;;;;;;;3D,4D,6D,7D,8D,9D,12D,13D,14D,15D.
What are the key properties of 3-N,8-N-bis(6-tert-butyldibenzofuran-4-yl)-5-phenyl-3-N,8-N-bis[4-(trifluoromethoxy)phenyl]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(2-methylphenyl)-3-N,8-N-diphenyl-5-(3-phenylphenyl)benzo[b]carbazole-3,8-diamine;3-N,8-N-bis(4-methylphenyl)-5-phenyl-3-N,8-N-bis(4-trimethylsilylphenyl)benzo[b]carbazole-3,8-diamine;3-N,8-N-bis(3-methylphenyl)-3-N,8-N,5-triphenylbenzo[b]carbazole-3,8-diamine;4-[dibenzofuran-4-yl-[8-(N-dibenzofuran-4-yl-4-isocyanoanilino)-5-(4-fluorophenyl)benzo[b]carbazol-3-yl]amino]benzonitrile;4-[dibenzothiophen-4-yl-[8-(N-dibenzothiophen-4-yl-4-isocyanoanilino)-5-phenylbenzo[b]carbazol-3-yl]amino]benzonitrile;3-N,8-N-di(dibenzofuran-4-yl)-3-N,8-N-bis(2-fluorophenyl)-5-(4-phenylphenyl)benzo[b]carbazole-3,8-diamine?
3-N,8-N-bis(6-tert-butyldibenzofuran-4-yl)-5-phenyl-3-N,8-N-bis[4-(trifluoromethoxy)phenyl]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(2-methylphenyl)-3-N,8-N-diphenyl-5-(3-phenylphenyl)benzo[b]carbazole-3,8-diamine;3-N,8-N-bis(4-methylphenyl)-5-phenyl-3-N,8-N-bis(4-trimethylsilylphenyl)benzo[b]carbazole-3,8-diamine;3-N,8-N-bis(3-methylphenyl)-3-N,8-N,5-triphenylbenzo[b]carbazole-3,8-diamine;4-[dibenzofuran-4-yl-[8-(N-dibenzofuran-4-yl-4-isocyanoanilino)-5-(4-fluorophenyl)benzo[b]carbazol-3-yl]amino]benzonitrile;4-[dibenzothiophen-4-yl-[8-(N-dibenzothiophen-4-yl-4-isocyanoanilino)-5-phenylbenzo[b]carbazol-3-yl]amino]benzonitrile;3-N,8-N-di(dibenzofuran-4-yl)-3-N,8-N-bis(2-fluorophenyl)-5-(4-phenylphenyl)benzo[b]carbazole-3,8-diamine has a molecular weight of 6628.17 g/mol, XLogP of 131.69, 62 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,8-N-bis(6-tert-butyldibenzofuran-4-yl)-5-phenyl-3-N,8-N-bis[4-(trifluoromethoxy)phenyl]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(2-methylphenyl)-3-N,8-N-diphenyl-5-(3-phenylphenyl)benzo[b]carbazole-3,8-diamine;3-N,8-N-bis(4-methylphenyl)-5-phenyl-3-N,8-N-bis(4-trimethylsilylphenyl)benzo[b]carbazole-3,8-diamine;3-N,8-N-bis(3-methylphenyl)-3-N,8-N,5-triphenylbenzo[b]carbazole-3,8-diamine;4-[dibenzofuran-4-yl-[8-(N-dibenzofuran-4-yl-4-isocyanoanilino)-5-(4-fluorophenyl)benzo[b]carbazol-3-yl]amino]benzonitrile;4-[dibenzothiophen-4-yl-[8-(N-dibenzothiophen-4-yl-4-isocyanoanilino)-5-phenylbenzo[b]carbazol-3-yl]amino]benzonitrile;3-N,8-N-di(dibenzofuran-4-yl)-3-N,8-N-bis(2-fluorophenyl)-5-(4-phenylphenyl)benzo[b]carbazole-3,8-diamine is sourced from PubChem (CID 158639073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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