C250H176F4N16 — CID 158622056
3-tert-butyl-6-(4-carbazol-9-ylphenyl)-9H-carbazole;3-(2-carbazol-9-yl-4,5-dimethylphenyl)-9H-carbazole;3-(4-carbazol-9-yl-2,3-dimethylphenyl)-9H-carbazole;3-(3-carbazol-9-yl-5-methylphenyl)-9H-carbazole;3-(2-carbazol-9-ylphenyl)-9H-carbazole;3-(3-carbazol-9-ylphenyl)-9H-carbazole;3-(4-carbazol-9-ylphenyl)-6-fluoro-9H-carbazole;3-(4-carbazol-9-ylphenyl)-6-(trifluoromethyl)-9H-carbazole (PubChem CID 158622056) has the molecular formula C250H176F4N16 and a molecular weight of 3480.26 g/mol. Its IUPAC name is 3-tert-butyl-6-(4-carbazol-9-ylphenyl)-9H-carbazole;3-(2-carbazol-9-yl-4,5-dimethylphenyl)-9H-carbazole;3-(4-carbazol-9-yl-2,3-dimethylphenyl)-9H-carbazole;3-(3-carbazol-9-yl-5-methylphenyl)-9H-carbazole;3-(2-carbazol-9-ylphenyl)-9H-carbazole;3-(3-carbazol-9-ylphenyl)-9H-carbazole;3-(4-carbazol-9-ylphenyl)-6-fluoro-9H-carbazole;3-(4-carbazol-9-ylphenyl)-6-(trifluoromethyl)-9H-carbazole.
| Compound Name | 3-tert-butyl-6-(4-carbazol-9-ylphenyl)-9H-carbazole;3-(2-carbazol-9-yl-4,5-dimethylphenyl)-9H-carbazole;3-(4-carbazol-9-yl-2,3-dimethylphenyl)-9H-carbazole;3-(3-carbazol-9-yl-5-methylphenyl)-9H-carbazole;3-(2-carbazol-9-ylphenyl)-9H-carbazole;3-(3-carbazol-9-ylphenyl)-9H-carbazole;3-(4-carbazol-9-ylphenyl)-6-fluoro-9H-carbazole;3-(4-carbazol-9-ylphenyl)-6-(trifluoromethyl)-9H-carbazole |
|---|---|
| PubChem CID | 158622056 |
| Molecular Formula | C250H176F4N16 |
| Molecular Weight | 3480.26 g/mol |
| Exact Mass | 3477.42 |
| IUPAC Name | 3-tert-butyl-6-(4-carbazol-9-ylphenyl)-9H-carbazole;3-(2-carbazol-9-yl-4,5-dimethylphenyl)-9H-carbazole;3-(4-carbazol-9-yl-2,3-dimethylphenyl)-9H-carbazole;3-(3-carbazol-9-yl-5-methylphenyl)-9H-carbazole;3-(2-carbazol-9-ylphenyl)-9H-carbazole;3-(3-carbazol-9-ylphenyl)-9H-carbazole;3-(4-carbazol-9-ylphenyl)-6-fluoro-9H-carbazole;3-(4-carbazol-9-ylphenyl)-6-(trifluoromethyl)-9H-carbazole |
| SMILES | CC(C)(C)c1ccc2[nH]c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3c2c1.Cc1c(-c2ccc3[nH]c4ccccc4c3c2)ccc(-n2c3ccccc3c3ccccc32)c1C.Cc1cc(-c2ccc3[nH]c4ccccc4c3c2)c(-n2c3ccccc3c3ccccc32)cc1C.Cc1cc(-c2ccc3[nH]c4ccccc4c3c2)cc(-n2c3ccccc3c3ccccc32)c1.FC(F)(F)c1ccc2[nH]c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3c2c1.Fc1ccc2[nH]c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3c2c1.c1cc(-c2ccc3[nH]c4ccccc4c3c2)cc(-n2c3ccccc3c3ccccc32)c1.c1ccc(-n2c3ccccc3c3ccccc32)c(-c2ccc3[nH]c4ccccc4c3c2)c1 |
| InChI | InChI=1S/C34H28N2.2C32H24N2.C31H19F3N2.C31H22N2.C30H19FN2.2C30H20N2/c1-34(2,3)24-15-19-31-29(21-24)28-20-23(14-18-30(28)35-31)22-12-16-25(17-13-22)36-32-10-6-4-8-26(32)27-9-5-7-11-33(27)36;1-20-21(2)30(34-31-13-7-4-10-25(31)26-11-5-8-14-32(26)34)18-16-23(20)22-15-17-29-27(19-22)24-9-3-6-12-28(24)33-29;1-20-17-26(22-15-16-29-27(19-22)23-9-3-6-12-28(23)33-29)32(18-21(20)2)34-30-13-7-4-10-24(30)25-11-5-8-14-31(25)34;32-31(33,34)21-12-16-28-26(18-21)25-17-20(11-15-27(25)35-28)19-9-13-22(14-10-19)36-29-7-3-1-5-23(29)24-6-2-4-8-30(24)36;1-20-16-22(21-14-15-29-27(19-21)24-8-2-5-11-28(24)32-29)18-23(17-20)33-30-12-6-3-9-25(30)26-10-4-7-13-31(26)33;31-21-12-16-28-26(18-21)25-17-20(11-15-27(25)32-28)19-9-13-22(14-10-19)33-29-7-3-1-5-23(29)24-6-2-4-8-30(24)33;1-5-13-26-22(10-1)25-19-20(17-18-27(25)31-26)21-9-2-6-14-28(21)32-29-15-7-3-11-23(29)24-12-4-8-16-30(24)32;1-4-13-27-23(10-1)26-19-21(16-17-28(26)31-27)20-8-7-9-22(18-20)32-29-14-5-2-11-24(29)25-12-3-6-15-30(25)32/h4-21,35H,1-3H3;2*3-19,33H,1-2H3;1-18,35H;2-19,32H,1H3;1-18,32H;2*1-19,31H |
| InChIKey | HYCWJWVISMXYJX-UHFFFAOYSA-N |
| XLogP | 68.68 |
| TPSA | 165.76 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 8 |
| Rotatable Bonds | 16 |
| Heavy Atoms | 270 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3480.26 |
| LogP ≤ 5 | 68.68 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 8 |