C134H86N10 — CID 159367402
2-phenyl-4-pyridin-4-yl-6-triphenylen-2-yl-1,3,5-triazine;2-(3-pyridin-2-yl-5-triphenylen-2-ylphenyl)pyridine;2-(3-pyridin-3-yl-5-triphenylen-2-ylphenyl)pyridine;4-(3-pyridin-4-yl-5-triphenylen-2-ylphenyl)pyridine (PubChem CID 159367402) has the molecular formula C134H86N10 and a molecular weight of 1836.23 g/mol. Its IUPAC name is 2-phenyl-4-pyridin-4-yl-6-triphenylen-2-yl-1,3,5-triazine;2-(3-pyridin-2-yl-5-triphenylen-2-ylphenyl)pyridine;2-(3-pyridin-3-yl-5-triphenylen-2-ylphenyl)pyridine;4-(3-pyridin-4-yl-5-triphenylen-2-ylphenyl)pyridine.
| Compound Name | 2-phenyl-4-pyridin-4-yl-6-triphenylen-2-yl-1,3,5-triazine;2-(3-pyridin-2-yl-5-triphenylen-2-ylphenyl)pyridine;2-(3-pyridin-3-yl-5-triphenylen-2-ylphenyl)pyridine;4-(3-pyridin-4-yl-5-triphenylen-2-ylphenyl)pyridine |
|---|---|
| PubChem CID | 159367402 |
| Molecular Formula | C134H86N10 |
| Molecular Weight | 1836.23 g/mol |
| Exact Mass | 1834.70 |
| IUPAC Name | 2-phenyl-4-pyridin-4-yl-6-triphenylen-2-yl-1,3,5-triazine;2-(3-pyridin-2-yl-5-triphenylen-2-ylphenyl)pyridine;2-(3-pyridin-3-yl-5-triphenylen-2-ylphenyl)pyridine;4-(3-pyridin-4-yl-5-triphenylen-2-ylphenyl)pyridine |
| SMILES | c1ccc(-c2cc(-c3ccc4c5ccccc5c5ccccc5c4c3)cc(-c3ccccn3)c2)nc1.c1ccc(-c2cc(-c3cccnc3)cc(-c3ccc4c5ccccc5c5ccccc5c4c3)c2)nc1.c1ccc(-c2nc(-c3ccncc3)nc(-c3ccc4c5ccccc5c5ccccc5c4c3)n2)cc1.c1ccc2c(c1)c1ccccc1c1cc(-c3cc(-c4ccncc4)cc(-c4ccncc4)c3)ccc21 |
| InChI | InChI=1S/3C34H22N2.C32H20N4/c1-2-11-29-27(9-1)28-10-3-4-12-30(28)32-22-23(15-16-31(29)32)24-19-25(33-13-5-7-17-35-33)21-26(20-24)34-14-6-8-18-36-34;1-2-11-30-28(9-1)29-10-3-4-12-31(29)33-21-23(14-15-32(30)33)25-18-26(24-8-7-16-35-22-24)20-27(19-25)34-13-5-6-17-36-34;1-2-7-31-29(5-1)30-6-3-4-8-32(30)34-22-25(9-10-33(31)34)28-20-26(23-11-15-35-16-12-23)19-27(21-28)24-13-17-36-18-14-24;1-2-8-21(9-3-1)30-34-31(22-16-18-33-19-17-22)36-32(35-30)23-14-15-28-26-12-5-4-10-24(26)25-11-6-7-13-27(25)29(28)20-23/h3*1-22H;1-20H |
| InChIKey | LJHNWLZDCCKSCZ-UHFFFAOYSA-N |
| XLogP | 34.54 |
| TPSA | 128.90 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 10 |
| Rotatable Bonds | 12 |
| Heavy Atoms | 144 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1836.23 |
| LogP ≤ 5 | 34.54 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 10 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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