C192H124N12 — CID 157313426
2,6-diphenyl-4-(3-triphenylen-2-ylphenyl)pyridine;4,6-diphenyl-2-(3-triphenylen-2-ylphenyl)pyrimidine;2-phenyl-4-triphenylen-2-ylpyrimidine;2-phenyl-4-triphenylen-2-yl-1,3,5-triazine;2-pyridin-4-yl-4-triphenylen-2-ylpyrimidine;2-(3-triphenylen-2-ylphenyl)pyridine (PubChem CID 157313426) has the molecular formula C192H124N12 and a molecular weight of 2599.19 g/mol. Its IUPAC name is 2,6-diphenyl-4-(3-triphenylen-2-ylphenyl)pyridine;4,6-diphenyl-2-(3-triphenylen-2-ylphenyl)pyrimidine;2-phenyl-4-triphenylen-2-ylpyrimidine;2-phenyl-4-triphenylen-2-yl-1,3,5-triazine;2-pyridin-4-yl-4-triphenylen-2-ylpyrimidine;2-(3-triphenylen-2-ylphenyl)pyridine.
| Compound Name | 2,6-diphenyl-4-(3-triphenylen-2-ylphenyl)pyridine;4,6-diphenyl-2-(3-triphenylen-2-ylphenyl)pyrimidine;2-phenyl-4-triphenylen-2-ylpyrimidine;2-phenyl-4-triphenylen-2-yl-1,3,5-triazine;2-pyridin-4-yl-4-triphenylen-2-ylpyrimidine;2-(3-triphenylen-2-ylphenyl)pyridine |
|---|---|
| PubChem CID | 157313426 |
| Molecular Formula | C192H124N12 |
| Molecular Weight | 2599.19 g/mol |
| Exact Mass | 2597.01 |
| IUPAC Name | 2,6-diphenyl-4-(3-triphenylen-2-ylphenyl)pyridine;4,6-diphenyl-2-(3-triphenylen-2-ylphenyl)pyrimidine;2-phenyl-4-triphenylen-2-ylpyrimidine;2-phenyl-4-triphenylen-2-yl-1,3,5-triazine;2-pyridin-4-yl-4-triphenylen-2-ylpyrimidine;2-(3-triphenylen-2-ylphenyl)pyridine |
| SMILES | c1ccc(-c2cc(-c3cccc(-c4ccc5c6ccccc6c6ccccc6c5c4)c3)cc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4ccc5c6ccccc6c6ccccc6c5c4)c3)n2)cc1.c1ccc(-c2cccc(-c3ccc4c5ccccc5c5ccccc5c4c3)c2)nc1.c1ccc(-c2nccc(-c3ccc4c5ccccc5c5ccccc5c4c3)n2)cc1.c1ccc(-c2ncnc(-c3ccc4c5ccccc5c5ccccc5c4c3)n2)cc1.c1ccc2c(c1)c1ccccc1c1cc(-c3ccnc(-c4ccncc4)n3)ccc21 |
| InChI | InChI=1S/C41H27N.C40H26N2.C29H19N.C28H18N2.2C27H17N3/c1-3-12-28(13-4-1)40-26-33(27-41(42-40)29-14-5-2-6-15-29)31-17-11-16-30(24-31)32-22-23-38-36-20-8-7-18-34(36)35-19-9-10-21-37(35)39(38)25-32;1-3-12-27(13-4-1)38-26-39(28-14-5-2-6-15-28)42-40(41-38)31-17-11-16-29(24-31)30-22-23-36-34-20-8-7-18-32(34)33-19-9-10-21-35(33)37(36)25-30;1-2-12-25-23(10-1)24-11-3-4-13-26(24)28-19-21(15-16-27(25)28)20-8-7-9-22(18-20)29-14-5-6-17-30-29;1-2-8-19(9-3-1)28-29-17-16-27(30-28)20-14-15-25-23-12-5-4-10-21(23)22-11-6-7-13-24(22)26(25)18-20;1-2-7-22-20(5-1)21-6-3-4-8-23(21)25-17-19(9-10-24(22)25)26-13-16-29-27(30-26)18-11-14-28-15-12-18;1-2-8-18(9-3-1)26-28-17-29-27(30-26)19-14-15-24-22-12-5-4-10-20(22)21-11-6-7-13-23(21)25(24)16-19/h1-27H;1-26H;1-19H;1-18H;2*1-17H |
| InChIKey | BDHOJTSAOKPOLA-UHFFFAOYSA-N |
| XLogP | 50.29 |
| TPSA | 154.68 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 16 |
| Heavy Atoms | 204 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2599.19 |
| LogP ≤ 5 | 50.29 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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