C234H152N12 — CID 162076770
2,4-diphenyl-6-[3-(2-triphenylen-2-ylphenyl)phenyl]pyrimidine;4,6-diphenyl-2-[3-(2-triphenylen-2-ylphenyl)phenyl]pyrimidine;2,4-diphenyl-6-[3-(2-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[3-(2-triphenylen-2-ylphenyl)phenyl]pyrimidine;2-(3-phenylphenyl)-4-[3-(2-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine (PubChem CID 162076770) has the molecular formula C234H152N12 and a molecular weight of 3131.87 g/mol. Its IUPAC name is 2,4-diphenyl-6-[3-(2-triphenylen-2-ylphenyl)phenyl]pyrimidine;4,6-diphenyl-2-[3-(2-triphenylen-2-ylphenyl)phenyl]pyrimidine;2,4-diphenyl-6-[3-(2-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[3-(2-triphenylen-2-ylphenyl)phenyl]pyrimidine;2-(3-phenylphenyl)-4-[3-(2-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine.
| Compound Name | 2,4-diphenyl-6-[3-(2-triphenylen-2-ylphenyl)phenyl]pyrimidine;4,6-diphenyl-2-[3-(2-triphenylen-2-ylphenyl)phenyl]pyrimidine;2,4-diphenyl-6-[3-(2-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[3-(2-triphenylen-2-ylphenyl)phenyl]pyrimidine;2-(3-phenylphenyl)-4-[3-(2-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine |
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| PubChem CID | 162076770 |
| Molecular Formula | C234H152N12 |
| Molecular Weight | 3131.87 g/mol |
| Exact Mass | 3129.23 |
| IUPAC Name | 2,4-diphenyl-6-[3-(2-triphenylen-2-ylphenyl)phenyl]pyrimidine;4,6-diphenyl-2-[3-(2-triphenylen-2-ylphenyl)phenyl]pyrimidine;2,4-diphenyl-6-[3-(2-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[3-(2-triphenylen-2-ylphenyl)phenyl]pyrimidine;2-(3-phenylphenyl)-4-[3-(2-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine |
| SMILES | c1ccc(-c2cc(-c3cccc(-c4ccccc4-c4ccc5c6ccccc6c6ccccc6c5c4)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4ccccc4-c4ccc5c6ccccc6c6ccccc6c5c4)c3)n2)cc1.c1ccc(-c2cccc(-c3cc(-c4cccc(-c5ccccc5-c5ccc6c7ccccc7c7ccccc7c6c5)c4)nc(-c4ccccc4)n3)c2)cc1.c1ccc(-c2cccc(-c3ncnc(-c4cccc(-c5ccccc5-c5ccc6c7ccccc7c7ccccc7c6c5)c4)n3)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccccc4-c4ccc5c6ccccc6c6ccccc6c5c4)c3)n2)cc1 |
| InChI | InChI=1S/C52H34N2.2C46H30N2.2C45H29N3/c1-3-15-35(16-4-1)37-19-13-21-40(31-37)50-34-51(54-52(53-50)36-17-5-2-6-18-36)41-22-14-20-38(32-41)42-23-7-8-24-43(42)39-29-30-48-46-27-10-9-25-44(46)45-26-11-12-28-47(45)49(48)33-39;1-3-14-31(15-4-1)44-30-45(48-46(47-44)32-16-5-2-6-17-32)35-19-13-18-33(28-35)36-20-7-8-21-37(36)34-26-27-42-40-24-10-9-22-38(40)39-23-11-12-25-41(39)43(42)29-34;1-3-14-31(15-4-1)44-30-45(32-16-5-2-6-17-32)48-46(47-44)35-19-13-18-33(28-35)36-20-7-8-21-37(36)34-26-27-42-40-24-10-9-22-38(40)39-23-11-12-25-41(39)43(42)29-34;1-3-14-30(15-4-1)43-46-44(31-16-5-2-6-17-31)48-45(47-43)34-19-13-18-32(28-34)35-20-7-8-21-36(35)33-26-27-41-39-24-10-9-22-37(39)38-23-11-12-25-40(38)42(41)29-33;1-2-12-30(13-3-1)31-14-10-16-34(26-31)44-46-29-47-45(48-44)35-17-11-15-32(27-35)36-18-4-5-19-37(36)33-24-25-42-40-22-7-6-20-38(40)39-21-8-9-23-41(39)43(42)28-33/h1-34H;2*1-30H;2*1-29H |
| InChIKey | ZBUQPZDUDWYGHG-UHFFFAOYSA-N |
| XLogP | 61.81 |
| TPSA | 154.68 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 26 |
| Heavy Atoms | 246 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3131.87 |
| LogP ≤ 5 | 61.81 |
| 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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