C163H126N6 — CID 158324934
2,6-bis[3-(3-methylphenyl)phenyl]-4-phenylpyridine;2,4-bis(3-methylphenyl)-6-phenylpyridine;2,6-bis(3-methylphenyl)-4-phenylpyridine;2-(3-phenanthren-9-ylphenyl)-6-[6-(3-phenanthren-9-ylphenyl)-2-pyridinyl]pyridine;2,4,6-tris(3-methylphenyl)pyridine (PubChem CID 158324934) has the molecular formula C163H126N6 and a molecular weight of 2168.84 g/mol. Its IUPAC name is 2,6-bis[3-(3-methylphenyl)phenyl]-4-phenylpyridine;2,4-bis(3-methylphenyl)-6-phenylpyridine;2,6-bis(3-methylphenyl)-4-phenylpyridine;2-(3-phenanthren-9-ylphenyl)-6-[6-(3-phenanthren-9-ylphenyl)-2-pyridinyl]pyridine;2,4,6-tris(3-methylphenyl)pyridine.
| Compound Name | 2,6-bis[3-(3-methylphenyl)phenyl]-4-phenylpyridine;2,4-bis(3-methylphenyl)-6-phenylpyridine;2,6-bis(3-methylphenyl)-4-phenylpyridine;2-(3-phenanthren-9-ylphenyl)-6-[6-(3-phenanthren-9-ylphenyl)-2-pyridinyl]pyridine;2,4,6-tris(3-methylphenyl)pyridine |
|---|---|
| PubChem CID | 158324934 |
| Molecular Formula | C163H126N6 |
| Molecular Weight | 2168.84 g/mol |
| Exact Mass | 2167.00 |
| IUPAC Name | 2,6-bis[3-(3-methylphenyl)phenyl]-4-phenylpyridine;2,4-bis(3-methylphenyl)-6-phenylpyridine;2,6-bis(3-methylphenyl)-4-phenylpyridine;2-(3-phenanthren-9-ylphenyl)-6-[6-(3-phenanthren-9-ylphenyl)-2-pyridinyl]pyridine;2,4,6-tris(3-methylphenyl)pyridine |
| SMILES | Cc1cccc(-c2cc(-c3cccc(C)c3)nc(-c3cccc(C)c3)c2)c1.Cc1cccc(-c2cc(-c3ccccc3)cc(-c3cccc(C)c3)n2)c1.Cc1cccc(-c2cc(-c3ccccc3)nc(-c3cccc(C)c3)c2)c1.Cc1cccc(-c2cccc(-c3cc(-c4ccccc4)cc(-c4cccc(-c5cccc(C)c5)c4)n3)c2)c1.c1cc(-c2cccc(-c3cccc(-c4cccc(-c5cc6ccccc6c6ccccc56)c4)n3)n2)cc(-c2cc3ccccc3c3ccccc23)c1 |
| InChI | InChI=1S/C50H32N2.C37H29N.C26H23N.2C25H21N/c1-3-19-39-35(13-1)31-45(43-23-7-5-21-41(39)43)33-15-9-17-37(29-33)47-25-11-27-49(51-47)50-28-12-26-48(52-50)38-18-10-16-34(30-38)46-32-36-14-2-4-20-40(36)42-22-6-8-24-44(42)46;1-26-10-6-14-29(20-26)31-16-8-18-33(22-31)36-24-35(28-12-4-3-5-13-28)25-37(38-36)34-19-9-17-32(23-34)30-15-7-11-27(2)21-30;1-18-7-4-10-21(13-18)24-16-25(22-11-5-8-19(2)14-22)27-26(17-24)23-12-6-9-20(3)15-23;1-18-8-6-12-21(14-18)23-16-24(20-10-4-3-5-11-20)26-25(17-23)22-13-7-9-19(2)15-22;1-18-8-6-12-21(14-18)24-16-23(20-10-4-3-5-11-20)17-25(26-24)22-13-7-9-19(2)15-22/h1-32H;3-25H,1-2H3;4-17H,1-3H3;2*3-17H,1-2H3 |
| InChIKey | GPHGCNYMSQNFKU-UHFFFAOYSA-N |
| XLogP | 43.86 |
| TPSA | 77.34 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 6 |
| Rotatable Bonds | 19 |
| Heavy Atoms | 169 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2168.84 |
| LogP ≤ 5 | 43.86 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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