C265H252N14O15S5 — CID 159722758
2,8-bis(3,6-ditert-butylcarbazol-9-yl)dibenzothiophene 5,5-dioxide;4-tert-butyl-N-[4-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]sulfonylphenyl]-N-(4-tert-butylphenyl)aniline;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;N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]sulfonylaniline;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine (PubChem CID 159722758) has the molecular formula C265H252N14O15S5 and a molecular weight of 4033.35 g/mol. Its IUPAC name is 2,8-bis(3,6-ditert-butylcarbazol-9-yl)dibenzothiophene 5,5-dioxide;4-tert-butyl-N-[4-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]sulfonylphenyl]-N-(4-tert-butylphenyl)aniline;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;N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]sulfonylaniline;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine.
| Compound Name | 2,8-bis(3,6-ditert-butylcarbazol-9-yl)dibenzothiophene 5,5-dioxide;4-tert-butyl-N-[4-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]sulfonylphenyl]-N-(4-tert-butylphenyl)aniline;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;N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]sulfonylaniline;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine |
|---|---|
| PubChem CID | 159722758 |
| Molecular Formula | C265H252N14O15S5 |
| Molecular Weight | 4033.35 g/mol |
| Exact Mass | 4029.80 |
| IUPAC Name | 2,8-bis(3,6-ditert-butylcarbazol-9-yl)dibenzothiophene 5,5-dioxide;4-tert-butyl-N-[4-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]sulfonylphenyl]-N-(4-tert-butylphenyl)aniline;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;N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]sulfonylaniline;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine |
| 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.CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc2c(c1)-c1cc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)ccc1S2(=O)=O.COc1ccc2c(c1)c1cc(OC)ccc1n2-c1ccc(S(=O)(=O)c2ccc(-n3c4ccc(OC)cc4c4cc(OC)ccc43)cc2)cc1.O=S(=O)(c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccc(N(c2ccccc2)c2ccccc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(N4c5ccccc5Oc5ccccc54)cc3)n2)cc1 |
| InChI | InChI=1S/C52H54N2O2S.C52H56N2O2S.C52H60N2O2S.C40H32N2O6S.C36H28N2O2S.C33H22N4O/c1-49(2,3)31-13-19-43-37(25-31)38-26-32(50(4,5)6)14-20-44(38)53(43)35-17-23-47-41(29-35)42-30-36(18-24-48(42)57(47,55)56)54-45-21-15-33(51(7,8)9)27-39(45)40-28-34(52(10,11)12)16-22-46(40)54;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;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;39-41(40,35-25-21-33(22-26-35)37(29-13-5-1-6-14-29)30-15-7-2-8-16-30)36-27-23-34(24-28-36)38(31-17-9-3-10-18-31)32-19-11-4-12-20-32;1-3-11-23(12-4-1)31-34-32(24-13-5-2-6-14-24)36-33(35-31)25-19-21-26(22-20-25)37-27-15-7-9-17-29(27)38-30-18-10-8-16-28(30)37/h13-30H,1-12H3;13-32H,1-12H3;13-36H,1-12H3;5-24H,1-4H3;1-28H;1-22H |
| InChIKey | NAFZYQADXLGPHC-UHFFFAOYSA-N |
| XLogP | 69.09 |
| TPSA | 301.30 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 29 |
| Rotatable Bonds | 34 |
| Heavy Atoms | 299 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4033.35 |
| LogP ≤ 5 | 69.09 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 29 |