C252H218N12O14S5 — CID 158938394
4-tert-butyl-N-[4-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]sulfonylphenyl]-N-(4-tert-butylphenyl)aniline;3-carbazol-9-yl-9-[4-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]sulfonylphenyl]carbazole;3,6-ditert-butyl-9-[4-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]sulfonylphenyl]carbazole;9-[4-[4-(3,6-dimethoxycarbazol-9-yl)phenyl]sulfonylphenyl]-3,6-dimethoxycarbazole;3-phenyl-9-[4-[4-(3-phenylcarbazol-9-yl)phenyl]sulfonylphenyl]carbazole (PubChem CID 158938394) has the molecular formula C252H218N12O14S5 and a molecular weight of 3798.92 g/mol. Its IUPAC name is 4-tert-butyl-N-[4-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]sulfonylphenyl]-N-(4-tert-butylphenyl)aniline;3-carbazol-9-yl-9-[4-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]sulfonylphenyl]carbazole;3,6-ditert-butyl-9-[4-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]sulfonylphenyl]carbazole;9-[4-[4-(3,6-dimethoxycarbazol-9-yl)phenyl]sulfonylphenyl]-3,6-dimethoxycarbazole;3-phenyl-9-[4-[4-(3-phenylcarbazol-9-yl)phenyl]sulfonylphenyl]carbazole.
| Compound Name | 4-tert-butyl-N-[4-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]sulfonylphenyl]-N-(4-tert-butylphenyl)aniline;3-carbazol-9-yl-9-[4-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]sulfonylphenyl]carbazole;3,6-ditert-butyl-9-[4-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]sulfonylphenyl]carbazole;9-[4-[4-(3,6-dimethoxycarbazol-9-yl)phenyl]sulfonylphenyl]-3,6-dimethoxycarbazole;3-phenyl-9-[4-[4-(3-phenylcarbazol-9-yl)phenyl]sulfonylphenyl]carbazole |
|---|---|
| PubChem CID | 158938394 |
| Molecular Formula | C252H218N12O14S5 |
| Molecular Weight | 3798.92 g/mol |
| Exact Mass | 3795.53 |
| IUPAC Name | 4-tert-butyl-N-[4-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]sulfonylphenyl]-N-(4-tert-butylphenyl)aniline;3-carbazol-9-yl-9-[4-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]sulfonylphenyl]carbazole;3,6-ditert-butyl-9-[4-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]sulfonylphenyl]carbazole;9-[4-[4-(3,6-dimethoxycarbazol-9-yl)phenyl]sulfonylphenyl]-3,6-dimethoxycarbazole;3-phenyl-9-[4-[4-(3-phenylcarbazol-9-yl)phenyl]sulfonylphenyl]carbazole |
| SMILES | CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc(S(=O)(=O)c3ccc(N(c4ccc(C(C)(C)C)cc4)c4ccc(C(C)(C)C)cc4)cc3)cc2)cc1.CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(S(=O)(=O)c2ccc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)cc2)cc1.COc1ccc2c(c1)c1cc(OC)ccc1n2-c1ccc(S(=O)(=O)c2ccc(-n3c4ccc(OC)cc4c4cc(OC)ccc43)cc2)cc1.O=S(=O)(c1ccc(-n2c3ccccc3c3cc(-c4ccccc4)ccc32)cc1)c1ccc(-n2c3ccccc3c3cc(-c4ccccc4)ccc32)cc1.O=S(=O)(c1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1)c1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1 |
| InChI | InChI=1S/C60H38N4O2S.C52H56N2O2S.C52H60N2O2S.C48H32N2O2S.C40H32N2O6S/c65-67(66,43-31-25-39(26-32-43)61-57-23-11-5-17-49(57)51-37-41(29-35-59(51)61)63-53-19-7-1-13-45(53)46-14-2-8-20-54(46)63)44-33-27-40(28-34-44)62-58-24-12-6-18-50(58)52-38-42(30-36-60(52)62)64-55-21-9-3-15-47(55)48-16-4-10-22-56(48)64;1-49(2,3)33-13-25-45-41(29-33)42-30-34(50(4,5)6)14-26-46(42)53(45)37-17-21-39(22-18-37)57(55,56)40-23-19-38(20-24-40)54-47-27-15-35(51(7,8)9)31-43(47)44-32-36(52(10,11)12)16-28-48(44)54;1-49(2,3)37-13-21-41(22-14-37)53(42-23-15-38(16-24-42)50(4,5)6)45-29-33-47(34-30-45)57(55,56)48-35-31-46(32-36-48)54(43-25-17-39(18-26-43)51(7,8)9)44-27-19-40(20-28-44)52(10,11)12;51-53(52,39-25-21-37(22-26-39)49-45-17-9-7-15-41(45)43-31-35(19-29-47(43)49)33-11-3-1-4-12-33)40-27-23-38(24-28-40)50-46-18-10-8-16-42(46)44-32-36(20-30-48(44)50)34-13-5-2-6-14-34;1-45-27-9-17-37-33(21-27)34-22-28(46-2)10-18-38(34)41(37)25-5-13-31(14-6-25)49(43,44)32-15-7-26(8-16-32)42-39-19-11-29(47-3)23-35(39)36-24-30(48-4)12-20-40(36)42/h1-38H;13-32H,1-12H3;13-36H,1-12H3;1-32H;5-24H,1-4H3 |
| InChIKey | JJYAFOXLPINPAG-UHFFFAOYSA-N |
| XLogP | 64.26 |
| TPSA | 263.40 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 26 |
| Rotatable Bonds | 32 |
| Heavy Atoms | 283 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3798.92 |
| LogP ≤ 5 | 64.26 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 26 |