C229H193N17O4S2 — CID 159629658
3-carbazol-9-yl-6,9-dimethylcarbazole;3-(3,6-dimethylcarbazol-9-yl)-10-methylphenothiazine;3-(3,6-dimethylcarbazol-9-yl)-10-methylphenoxazine;3,7-dimethyl-10-(9-methyl-6-phenoxazin-10-ylcarbazol-3-yl)phenoxazine;10-methyl-N-(4-methylphenyl)-N-phenylphenothiazin-3-amine;10-methyl-N-(4-methylphenyl)-N-phenylphenoxazin-3-amine;7,9,9,10-tetramethyl-N,N-diphenylacridin-2-amine;9,9,10-trimethyl-N-(4-methylphenyl)-N-phenylacridin-2-amine (PubChem CID 159629658) has the molecular formula C229H193N17O4S2 and a molecular weight of 3311.31 g/mol. Its IUPAC name is 3-carbazol-9-yl-6,9-dimethylcarbazole;3-(3,6-dimethylcarbazol-9-yl)-10-methylphenothiazine;3-(3,6-dimethylcarbazol-9-yl)-10-methylphenoxazine;3,7-dimethyl-10-(9-methyl-6-phenoxazin-10-ylcarbazol-3-yl)phenoxazine;10-methyl-N-(4-methylphenyl)-N-phenylphenothiazin-3-amine;10-methyl-N-(4-methylphenyl)-N-phenylphenoxazin-3-amine;7,9,9,10-tetramethyl-N,N-diphenylacridin-2-amine;9,9,10-trimethyl-N-(4-methylphenyl)-N-phenylacridin-2-amine.
| Compound Name | 3-carbazol-9-yl-6,9-dimethylcarbazole;3-(3,6-dimethylcarbazol-9-yl)-10-methylphenothiazine;3-(3,6-dimethylcarbazol-9-yl)-10-methylphenoxazine;3,7-dimethyl-10-(9-methyl-6-phenoxazin-10-ylcarbazol-3-yl)phenoxazine;10-methyl-N-(4-methylphenyl)-N-phenylphenothiazin-3-amine;10-methyl-N-(4-methylphenyl)-N-phenylphenoxazin-3-amine;7,9,9,10-tetramethyl-N,N-diphenylacridin-2-amine;9,9,10-trimethyl-N-(4-methylphenyl)-N-phenylacridin-2-amine |
|---|---|
| PubChem CID | 159629658 |
| Molecular Formula | C229H193N17O4S2 |
| Molecular Weight | 3311.31 g/mol |
| Exact Mass | 3308.49 |
| IUPAC Name | 3-carbazol-9-yl-6,9-dimethylcarbazole;3-(3,6-dimethylcarbazol-9-yl)-10-methylphenothiazine;3-(3,6-dimethylcarbazol-9-yl)-10-methylphenoxazine;3,7-dimethyl-10-(9-methyl-6-phenoxazin-10-ylcarbazol-3-yl)phenoxazine;10-methyl-N-(4-methylphenyl)-N-phenylphenothiazin-3-amine;10-methyl-N-(4-methylphenyl)-N-phenylphenoxazin-3-amine;7,9,9,10-tetramethyl-N,N-diphenylacridin-2-amine;9,9,10-trimethyl-N-(4-methylphenyl)-N-phenylacridin-2-amine |
| SMILES | Cc1ccc(N(c2ccccc2)c2ccc3c(c2)C(C)(C)c2ccccc2N3C)cc1.Cc1ccc(N(c2ccccc2)c2ccc3c(c2)Oc2ccccc2N3C)cc1.Cc1ccc(N(c2ccccc2)c2ccc3c(c2)Sc2ccccc2N3C)cc1.Cc1ccc2c(c1)C(C)(C)c1cc(N(c3ccccc3)c3ccccc3)ccc1N2C.Cc1ccc2c(c1)Oc1cc(C)ccc1N2c1ccc2c(c1)c1cc(N3c4ccccc4Oc4ccccc43)ccc1n2C.Cc1ccc2c(c1)c1cc(-n3c4ccccc4c4ccccc43)ccc1n2C.Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc2c(c1)Oc1ccccc1N2C.Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc2c(c1)Sc1ccccc1N2C |
| InChI | InChI=1S/C39H29N3O2.2C29H28N2.C27H22N2O.C27H22N2S.C26H22N2O.C26H22N2S.C26H20N2/c1-24-12-16-34-38(20-24)44-39-21-25(2)13-17-35(39)42(34)27-15-19-31-29(23-27)28-22-26(14-18-30(28)40(31)3)41-32-8-4-6-10-36(32)43-37-11-7-5-9-33(37)41;1-21-15-17-27-25(19-21)29(2,3)26-20-24(16-18-28(26)30(27)4)31(22-11-7-5-8-12-22)23-13-9-6-10-14-23;1-21-14-16-23(17-15-21)31(22-10-6-5-7-11-22)24-18-19-28-26(20-24)29(2,3)25-12-8-9-13-27(25)30(28)4;2*1-17-8-11-22-20(14-17)21-15-18(2)9-12-23(21)29(22)19-10-13-25-27(16-19)30-26-7-5-4-6-24(26)28(25)3;2*1-19-12-14-21(15-13-19)28(20-8-4-3-5-9-20)22-16-17-24-26(18-22)29-25-11-7-6-10-23(25)27(24)2;1-17-11-13-23-21(15-17)22-16-18(12-14-24(22)27(23)2)28-25-9-5-3-7-19(25)20-8-4-6-10-26(20)28/h4-23H,1-3H3;2*5-20H,1-4H3;2*4-16H,1-3H3;2*3-18H,1-2H3;3-16H,1-2H3 |
| InChIKey | MOYMKAHMWGKRTF-UHFFFAOYSA-N |
| XLogP | 63.52 |
| TPSA | 100.45 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 23 |
| Rotatable Bonds | 17 |
| Heavy Atoms | 252 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3311.31 |
| LogP ≤ 5 | 63.52 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 23 |