C266H172N16 — CID 163914055
2,4-diphenyl-6-[2-(4-triphenylen-2-ylphenyl)phenyl]pyrimidine;2,4-dipyridin-4-yl-6-[2-(4-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine;2-phenyl-4-[2-(4-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine;2-[3-pyridin-3-yl-5-[2-(4-triphenylen-2-ylphenyl)phenyl]phenyl]pyridine;3-[3-pyridin-3-yl-5-[2-(4-triphenylen-2-ylphenyl)phenyl]phenyl]pyridine;4-[3-pyridin-4-yl-5-[2-(4-triphenylen-2-ylphenyl)phenyl]phenyl]pyridine (PubChem CID 163914055) has the molecular formula C266H172N16 and a molecular weight of 3592.41 g/mol. Its IUPAC name is 2,4-diphenyl-6-[2-(4-triphenylen-2-ylphenyl)phenyl]pyrimidine;2,4-dipyridin-4-yl-6-[2-(4-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine;2-phenyl-4-[2-(4-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine;2-[3-pyridin-3-yl-5-[2-(4-triphenylen-2-ylphenyl)phenyl]phenyl]pyridine;3-[3-pyridin-3-yl-5-[2-(4-triphenylen-2-ylphenyl)phenyl]phenyl]pyridine;4-[3-pyridin-4-yl-5-[2-(4-triphenylen-2-ylphenyl)phenyl]phenyl]pyridine.
| Compound Name | 2,4-diphenyl-6-[2-(4-triphenylen-2-ylphenyl)phenyl]pyrimidine;2,4-dipyridin-4-yl-6-[2-(4-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine;2-phenyl-4-[2-(4-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine;2-[3-pyridin-3-yl-5-[2-(4-triphenylen-2-ylphenyl)phenyl]phenyl]pyridine;3-[3-pyridin-3-yl-5-[2-(4-triphenylen-2-ylphenyl)phenyl]phenyl]pyridine;4-[3-pyridin-4-yl-5-[2-(4-triphenylen-2-ylphenyl)phenyl]phenyl]pyridine |
|---|---|
| PubChem CID | 163914055 |
| Molecular Formula | C266H172N16 |
| Molecular Weight | 3592.41 g/mol |
| Exact Mass | 3589.40 |
| IUPAC Name | 2,4-diphenyl-6-[2-(4-triphenylen-2-ylphenyl)phenyl]pyrimidine;2,4-dipyridin-4-yl-6-[2-(4-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine;2-phenyl-4-[2-(4-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine;2-[3-pyridin-3-yl-5-[2-(4-triphenylen-2-ylphenyl)phenyl]phenyl]pyridine;3-[3-pyridin-3-yl-5-[2-(4-triphenylen-2-ylphenyl)phenyl]phenyl]pyridine;4-[3-pyridin-4-yl-5-[2-(4-triphenylen-2-ylphenyl)phenyl]phenyl]pyridine |
| SMILES | c1ccc(-c2cc(-c3ccccc3-c3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cccnc3)cc(-c3ccccc3-c3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc3)c2)nc1.c1ccc(-c2cc(-c3ccncc3)cc(-c3ccncc3)c2)c(-c2ccc(-c3ccc4c5ccccc5c5ccccc5c4c3)cc2)c1.c1ccc(-c2nc(-c3ccncc3)nc(-c3ccncc3)n2)c(-c2ccc(-c3ccc4c5ccccc5c5ccccc5c4c3)cc2)c1.c1ccc(-c2ncnc(-c3ccccc3-c3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc3)n2)cc1.c1cncc(-c2cc(-c3cccnc3)cc(-c3ccccc3-c3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc3)c2)c1 |
| InChI | InChI=1S/4C46H30N2.C43H27N5.C39H25N3/c1-3-13-33(14-4-1)44-30-45(48-46(47-44)34-15-5-2-6-16-34)42-22-12-7-17-36(42)32-25-23-31(24-26-32)35-27-28-41-39-20-9-8-18-37(39)38-19-10-11-21-40(38)43(41)29-35;1-2-12-40(38-26-36(34-9-7-23-47-29-34)25-37(27-38)35-10-8-24-48-30-35)39(11-1)32-19-17-31(18-20-32)33-21-22-45-43-15-4-3-13-41(43)42-14-5-6-16-44(42)46(45)28-33;1-2-12-39(36-26-35(34-10-9-24-47-30-34)27-37(28-36)46-17-7-8-25-48-46)38(11-1)32-20-18-31(19-21-32)33-22-23-44-42-15-4-3-13-40(42)41-14-5-6-16-43(41)45(44)29-33;1-2-8-40(38-28-36(32-19-23-47-24-20-32)27-37(29-38)33-21-25-48-26-22-33)39(7-1)34-15-13-31(14-16-34)35-17-18-45-43-11-4-3-9-41(43)42-10-5-6-12-44(42)46(45)30-35;1-6-12-39(43-47-41(30-19-23-44-24-20-30)46-42(48-43)31-21-25-45-26-22-31)33(7-1)29-15-13-28(14-16-29)32-17-18-38-36-10-3-2-8-34(36)35-9-4-5-11-37(35)40(38)27-32;1-2-10-28(11-3-1)38-40-25-41-39(42-38)36-17-9-4-12-30(36)27-20-18-26(19-21-27)29-22-23-35-33-15-6-5-13-31(33)32-14-7-8-16-34(32)37(35)24-29/h4*1-30H;1-27H;1-25H |
| InChIKey | QURHDCVXGOKDGZ-UHFFFAOYSA-N |
| XLogP | 69.54 |
| TPSA | 206.24 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 29 |
| Heavy Atoms | 282 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3592.41 |
| LogP ≤ 5 | 69.54 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 16 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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