C120H87N7O2S — CID 157443051
2-dibenzofuran-4-yl-6-methyl-4-phenylpyridine;4-(3-dibenzofuran-4-yl-5-methylphenyl)pyridine;4-(3-dibenzothiophen-4-yl-5-methylphenyl)pyridine;9-(6-methyl-4-phenyl-2-pyridinyl)carbazole;9-(3-methyl-5-pyridin-4-ylphenyl)carbazole (PubChem CID 157443051) has the molecular formula C120H87N7O2S and a molecular weight of 1691.13 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-6-methyl-4-phenylpyridine;4-(3-dibenzofuran-4-yl-5-methylphenyl)pyridine;4-(3-dibenzothiophen-4-yl-5-methylphenyl)pyridine;9-(6-methyl-4-phenyl-2-pyridinyl)carbazole;9-(3-methyl-5-pyridin-4-ylphenyl)carbazole.
| Compound Name | 2-dibenzofuran-4-yl-6-methyl-4-phenylpyridine;4-(3-dibenzofuran-4-yl-5-methylphenyl)pyridine;4-(3-dibenzothiophen-4-yl-5-methylphenyl)pyridine;9-(6-methyl-4-phenyl-2-pyridinyl)carbazole;9-(3-methyl-5-pyridin-4-ylphenyl)carbazole |
|---|---|
| PubChem CID | 157443051 |
| Molecular Formula | C120H87N7O2S |
| Molecular Weight | 1691.13 g/mol |
| Exact Mass | 1689.66 |
| IUPAC Name | 2-dibenzofuran-4-yl-6-methyl-4-phenylpyridine;4-(3-dibenzofuran-4-yl-5-methylphenyl)pyridine;4-(3-dibenzothiophen-4-yl-5-methylphenyl)pyridine;9-(6-methyl-4-phenyl-2-pyridinyl)carbazole;9-(3-methyl-5-pyridin-4-ylphenyl)carbazole |
| SMILES | Cc1cc(-c2ccccc2)cc(-c2cccc3c2oc2ccccc23)n1.Cc1cc(-c2ccccc2)cc(-n2c3ccccc3c3ccccc32)n1.Cc1cc(-c2ccncc2)cc(-c2cccc3c2oc2ccccc23)c1.Cc1cc(-c2ccncc2)cc(-c2cccc3c2sc2ccccc23)c1.Cc1cc(-c2ccncc2)cc(-n2c3ccccc3c3ccccc32)c1 |
| InChI | InChI=1S/2C24H18N2.2C24H17NO.C24H17NS/c1-17-14-19(18-10-12-25-13-11-18)16-20(15-17)26-23-8-4-2-6-21(23)22-7-3-5-9-24(22)26;1-17-15-19(18-9-3-2-4-10-18)16-24(25-17)26-22-13-7-5-11-20(22)21-12-6-8-14-23(21)26;1-16-13-18(17-9-11-25-12-10-17)15-19(14-16)20-6-4-7-22-21-5-2-3-8-23(21)26-24(20)22;1-16-14-18(17-8-3-2-4-9-17)15-22(25-16)21-12-7-11-20-19-10-5-6-13-23(19)26-24(20)21;1-16-13-18(17-9-11-25-12-10-17)15-19(14-16)20-6-4-7-22-21-5-2-3-8-23(21)26-24(20)22/h2*2-16H,1H3;3*2-15H,1H3 |
| InChIKey | BRWZDLVYFZFGJW-UHFFFAOYSA-N |
| XLogP | 32.65 |
| TPSA | 100.59 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 10 |
| Rotatable Bonds | 10 |
| Heavy Atoms | 130 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1691.13 |
| LogP ≤ 5 | 32.65 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 10 |