C232H158N12O4P4 — CID 159396238
2-[4-[4-(4-dinaphthalen-1-ylphosphorylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-[4-(4-dinaphthalen-1-ylphosphorylphenyl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(4-dinaphthalen-1-ylphosphorylphenyl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-[4-(4-diphenylphosphorylphenyl)naphthalen-1-yl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine (PubChem CID 159396238) has the molecular formula C232H158N12O4P4 and a molecular weight of 3301.79 g/mol. Its IUPAC name is 2-[4-[4-(4-dinaphthalen-1-ylphosphorylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-[4-(4-dinaphthalen-1-ylphosphorylphenyl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(4-dinaphthalen-1-ylphosphorylphenyl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-[4-(4-diphenylphosphorylphenyl)naphthalen-1-yl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine.
| Compound Name | 2-[4-[4-(4-dinaphthalen-1-ylphosphorylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-[4-(4-dinaphthalen-1-ylphosphorylphenyl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(4-dinaphthalen-1-ylphosphorylphenyl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-[4-(4-diphenylphosphorylphenyl)naphthalen-1-yl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine |
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| PubChem CID | 159396238 |
| Molecular Formula | C232H158N12O4P4 |
| Molecular Weight | 3301.79 g/mol |
| Exact Mass | 3299.15 |
| IUPAC Name | 2-[4-[4-(4-dinaphthalen-1-ylphosphorylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-[4-(4-dinaphthalen-1-ylphosphorylphenyl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(4-dinaphthalen-1-ylphosphorylphenyl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-[4-(4-diphenylphosphorylphenyl)naphthalen-1-yl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine |
| SMILES | O=P(c1ccc(-c2ccc(-c3ccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)cc3)cc2)cc1)(c1cccc2ccccc12)c1cccc2ccccc12.O=P(c1ccc(-c2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccc(-c6ccccc6)cc5)n4)cc3)cc2)cc1)(c1cccc2ccccc12)c1cccc2ccccc12.O=P(c1ccc(-c2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)cc2)cc1)(c1cccc2ccccc12)c1cccc2ccccc12.O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2ccc(-c3cccc(-c4nc(-c5ccc(-c6ccccc6)cc5)nc(-c5ccc(-c6ccccc6)cc5)n4)c3)c3ccccc23)cc1 |
| InChI | InChI=1S/C61H42N3OP.2C59H40N3OP.C53H36N3OP/c65-66(52-22-9-3-10-23-52,53-24-11-4-12-25-53)54-38-36-47(37-39-54)55-40-41-56(58-27-14-13-26-57(55)58)50-20-15-21-51(42-50)61-63-59(48-32-28-45(29-33-48)43-16-5-1-6-17-43)62-60(64-61)49-34-30-46(31-35-49)44-18-7-2-8-19-44;63-64(55-23-11-19-47-13-7-9-21-53(47)55,56-24-12-20-48-14-8-10-22-54(48)56)52-39-37-46(38-40-52)44-31-29-42(30-32-44)41-25-27-43(28-26-41)45-33-35-51(36-34-45)59-61-57(49-15-3-1-4-16-49)60-58(62-59)50-17-5-2-6-18-50;63-64(55-23-11-19-47-15-7-9-21-53(47)55,56-24-12-20-48-16-8-10-22-54(48)56)52-39-37-46(38-40-52)44-27-25-43(26-28-44)45-31-35-51(36-32-45)59-61-57(49-17-5-2-6-18-49)60-58(62-59)50-33-29-42(30-34-50)41-13-3-1-4-14-41;57-58(49-23-11-19-41-13-7-9-21-47(41)49,50-24-12-20-42-14-8-10-22-48(42)50)46-35-33-40(34-36-46)38-27-25-37(26-28-38)39-29-31-45(32-30-39)53-55-51(43-15-3-1-4-16-43)54-52(56-53)44-17-5-2-6-18-44/h1-42H;2*1-40H;1-36H |
| InChIKey | LMTDZXAPPKABJD-UHFFFAOYSA-N |
| XLogP | 54.12 |
| TPSA | 222.96 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 36 |
| Heavy Atoms | 252 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3301.79 |
| LogP ≤ 5 | 54.12 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 16 |
| Structural Alerts | {'alert_name': 'phosphor', 'substructure': 'N/A'} |
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