C166H106N2O8P4 — CID 157173293
2-carbazol-9-yl-10-phenanthren-9-ylphenoxaphosphinine 10-oxide;10-naphthalen-2-yl-2-(10-naphthalen-1-ylanthracen-9-yl)phenoxaphosphinine 10-oxide;10-naphthalen-1-yl-2-(9-phenylcarbazol-3-yl)phenoxaphosphinine 10-oxide;10-phenyl-3-(3-triphenylen-2-ylphenyl)phenoxaphosphinine 10-oxide (PubChem CID 157173293) has the molecular formula C166H106N2O8P4 and a molecular weight of 2380.58 g/mol. Its IUPAC name is 2-carbazol-9-yl-10-phenanthren-9-ylphenoxaphosphinine 10-oxide;10-naphthalen-2-yl-2-(10-naphthalen-1-ylanthracen-9-yl)phenoxaphosphinine 10-oxide;10-naphthalen-1-yl-2-(9-phenylcarbazol-3-yl)phenoxaphosphinine 10-oxide;10-phenyl-3-(3-triphenylen-2-ylphenyl)phenoxaphosphinine 10-oxide.
| Compound Name | 2-carbazol-9-yl-10-phenanthren-9-ylphenoxaphosphinine 10-oxide;10-naphthalen-2-yl-2-(10-naphthalen-1-ylanthracen-9-yl)phenoxaphosphinine 10-oxide;10-naphthalen-1-yl-2-(9-phenylcarbazol-3-yl)phenoxaphosphinine 10-oxide;10-phenyl-3-(3-triphenylen-2-ylphenyl)phenoxaphosphinine 10-oxide |
|---|---|
| PubChem CID | 157173293 |
| Molecular Formula | C166H106N2O8P4 |
| Molecular Weight | 2380.58 g/mol |
| Exact Mass | 2378.69 |
| IUPAC Name | 2-carbazol-9-yl-10-phenanthren-9-ylphenoxaphosphinine 10-oxide;10-naphthalen-2-yl-2-(10-naphthalen-1-ylanthracen-9-yl)phenoxaphosphinine 10-oxide;10-naphthalen-1-yl-2-(9-phenylcarbazol-3-yl)phenoxaphosphinine 10-oxide;10-phenyl-3-(3-triphenylen-2-ylphenyl)phenoxaphosphinine 10-oxide |
| SMILES | O=P1(c2cc3ccccc3c3ccccc23)c2ccccc2Oc2ccc(-n3c4ccccc4c4ccccc43)cc21.O=P1(c2ccc3ccccc3c2)c2ccccc2Oc2ccc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)cc21.O=P1(c2cccc3ccccc23)c2ccccc2Oc2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc21.O=P1(c2ccccc2)c2ccccc2Oc2cc(-c3cccc(-c4ccc5c6ccccc6c6ccccc6c5c4)c3)ccc21 |
| InChI | InChI=1S/C46H29O2P.C42H27O2P.C40H26NO2P.C38H24NO2P/c47-49(34-26-24-30-12-1-2-14-32(30)28-34)43-23-10-9-22-41(43)48-42-27-25-33(29-44(42)49)45-37-17-5-7-19-39(37)46(40-20-8-6-18-38(40)45)36-21-11-15-31-13-3-4-16-35(31)36;43-45(32-13-2-1-3-14-32)41-20-9-8-19-39(41)44-40-27-31(22-24-42(40)45)29-12-10-11-28(25-29)30-21-23-37-35-17-5-4-15-33(35)34-16-6-7-18-36(34)38(37)26-30;42-44(38-20-10-12-27-11-4-5-15-31(27)38)39-19-9-8-18-36(39)43-37-24-22-29(26-40(37)44)28-21-23-35-33(25-28)32-16-6-7-17-34(32)41(35)30-13-2-1-3-14-30;40-42(37-23-25-11-1-2-12-27(25)28-13-3-4-16-31(28)37)36-20-10-9-19-34(36)41-35-22-21-26(24-38(35)42)39-32-17-7-5-14-29(32)30-15-6-8-18-33(30)39/h1-29H;1-27H;1-26H;1-24H |
| InChIKey | ANSKLDBGRLQARO-UHFFFAOYSA-N |
| XLogP | 39.79 |
| TPSA | 115.06 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 10 |
| Rotatable Bonds | 11 |
| Heavy Atoms | 180 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2380.58 |
| LogP ≤ 5 | 39.79 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 10 |
| Structural Alerts | {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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