C162H111N6O3P3 — CID 157211543
3-[4-[[4-(3-carbazol-9-ylphenyl)phenyl]-phenylphosphoryl]phenyl]-9-phenylcarbazole;9-phenyl-2-[4-[phenyl-[4-(9-phenylcarbazol-3-yl)phenyl]phosphoryl]phenyl]carbazole;9-phenyl-3-[4-[phenyl-[4-(9-phenylcarbazol-3-yl)phenyl]phosphoryl]phenyl]carbazole (PubChem CID 157211543) has the molecular formula C162H111N6O3P3 and a molecular weight of 2282.63 g/mol. Its IUPAC name is 3-[4-[[4-(3-carbazol-9-ylphenyl)phenyl]-phenylphosphoryl]phenyl]-9-phenylcarbazole;9-phenyl-2-[4-[phenyl-[4-(9-phenylcarbazol-3-yl)phenyl]phosphoryl]phenyl]carbazole;9-phenyl-3-[4-[phenyl-[4-(9-phenylcarbazol-3-yl)phenyl]phosphoryl]phenyl]carbazole.
| Compound Name | 3-[4-[[4-(3-carbazol-9-ylphenyl)phenyl]-phenylphosphoryl]phenyl]-9-phenylcarbazole;9-phenyl-2-[4-[phenyl-[4-(9-phenylcarbazol-3-yl)phenyl]phosphoryl]phenyl]carbazole;9-phenyl-3-[4-[phenyl-[4-(9-phenylcarbazol-3-yl)phenyl]phosphoryl]phenyl]carbazole |
|---|---|
| PubChem CID | 157211543 |
| Molecular Formula | C162H111N6O3P3 |
| Molecular Weight | 2282.63 g/mol |
| Exact Mass | 2280.79 |
| IUPAC Name | 3-[4-[[4-(3-carbazol-9-ylphenyl)phenyl]-phenylphosphoryl]phenyl]-9-phenylcarbazole;9-phenyl-2-[4-[phenyl-[4-(9-phenylcarbazol-3-yl)phenyl]phosphoryl]phenyl]carbazole;9-phenyl-3-[4-[phenyl-[4-(9-phenylcarbazol-3-yl)phenyl]phosphoryl]phenyl]carbazole |
| SMILES | O=P(c1ccccc1)(c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1)c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1.O=P(c1ccccc1)(c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1)c1ccc(-c2ccc3c4ccccc4n(-c4ccccc4)c3c2)cc1.O=P(c1ccccc1)(c1ccc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc1)c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1 |
| InChI | InChI=1S/3C54H37N2OP/c57-58(44-18-8-3-9-19-44,45-30-24-38(25-31-45)40-29-35-53-50(36-40)48-21-11-13-23-52(48)55(53)42-14-4-1-5-15-42)46-32-26-39(27-33-46)41-28-34-49-47-20-10-12-22-51(47)56(54(49)37-41)43-16-6-2-7-17-43;57-58(44-18-8-3-9-19-44,45-30-24-38(25-31-45)40-28-34-53-49(36-40)47-20-10-12-22-51(47)55(53)42-14-4-1-5-15-42)46-32-26-39(27-33-46)41-29-35-54-50(37-41)48-21-11-13-23-52(48)56(54)43-16-6-2-7-17-43;57-58(44-18-5-2-6-19-44,45-31-26-38(27-32-45)40-14-13-17-43(36-40)56-51-23-10-7-20-47(51)48-21-8-11-24-52(48)56)46-33-28-39(29-34-46)41-30-35-54-50(37-41)49-22-9-12-25-53(49)55(54)42-15-3-1-4-16-42/h3*1-37H |
| InChIKey | ARYGMWMWHYHLLW-UHFFFAOYSA-N |
| XLogP | 38.56 |
| TPSA | 80.79 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 9 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 174 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2282.63 |
| LogP ≤ 5 | 38.56 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 9 |
| Structural Alerts | {'alert_name': 'phosphor', 'substructure': 'N/A'} |
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