C178H128N15O5P5 — CID 157082217
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,5-dimethylphenyl]-10-phenylphenophosphazinine 10-oxide;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenylphenophosphazinine 10-oxide;5-[4-(3,5-dipyridin-3-ylphenyl)phenyl]-10-phenylphenophosphazinine 10-oxide;10-phenyl-5-(4-pyridin-3-ylphenyl)phenophosphazinine 10-oxide;10-phenyl-5-(4-pyridin-4-ylphenyl)phenophosphazinine 10-oxide (PubChem CID 157082217) has the molecular formula C178H128N15O5P5 and a molecular weight of 2711.95 g/mol. Its IUPAC name is 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,5-dimethylphenyl]-10-phenylphenophosphazinine 10-oxide;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenylphenophosphazinine 10-oxide;5-[4-(3,5-dipyridin-3-ylphenyl)phenyl]-10-phenylphenophosphazinine 10-oxide;10-phenyl-5-(4-pyridin-3-ylphenyl)phenophosphazinine 10-oxide;10-phenyl-5-(4-pyridin-4-ylphenyl)phenophosphazinine 10-oxide.
| Compound Name | 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,5-dimethylphenyl]-10-phenylphenophosphazinine 10-oxide;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenylphenophosphazinine 10-oxide;5-[4-(3,5-dipyridin-3-ylphenyl)phenyl]-10-phenylphenophosphazinine 10-oxide;10-phenyl-5-(4-pyridin-3-ylphenyl)phenophosphazinine 10-oxide;10-phenyl-5-(4-pyridin-4-ylphenyl)phenophosphazinine 10-oxide |
|---|---|
| PubChem CID | 157082217 |
| Molecular Formula | C178H128N15O5P5 |
| Molecular Weight | 2711.95 g/mol |
| Exact Mass | 2709.89 |
| IUPAC Name | 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,5-dimethylphenyl]-10-phenylphenophosphazinine 10-oxide;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenylphenophosphazinine 10-oxide;5-[4-(3,5-dipyridin-3-ylphenyl)phenyl]-10-phenylphenophosphazinine 10-oxide;10-phenyl-5-(4-pyridin-3-ylphenyl)phenophosphazinine 10-oxide;10-phenyl-5-(4-pyridin-4-ylphenyl)phenophosphazinine 10-oxide |
| SMILES | Cc1cc(N2c3ccccc3P(=O)(c3ccccc3)c3ccccc32)c(C)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.O=P1(c2ccccc2)c2ccccc2N(c2ccc(-c3cc(-c4cccnc4)cc(-c4cccnc4)c3)cc2)c2ccccc21.O=P1(c2ccccc2)c2ccccc2N(c2ccc(-c3cccnc3)cc2)c2ccccc21.O=P1(c2ccccc2)c2ccccc2N(c2ccc(-c3ccncc3)cc2)c2ccccc21.O=P1(c2ccccc2)c2ccccc2N(c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)c2ccccc21 |
| InChI | InChI=1S/C41H31N4OP.C40H28N3OP.C39H27N4OP.2C29H21N2OP/c1-28-27-36(45-34-22-12-14-24-37(34)47(46,32-20-10-5-11-21-32)38-25-15-13-23-35(38)45)29(2)26-33(28)41-43-39(30-16-6-3-7-17-30)42-40(44-41)31-18-8-4-9-19-31;44-45(36-12-2-1-3-13-36)39-16-6-4-14-37(39)43(38-15-5-7-17-40(38)45)35-20-18-29(19-21-35)32-24-33(30-10-8-22-41-27-30)26-34(25-32)31-11-9-23-42-28-31;44-45(32-21-8-3-9-22-32)35-25-12-10-23-33(35)43(34-24-11-13-26-36(34)45)31-20-14-19-30(27-31)39-41-37(28-15-4-1-5-16-28)40-38(42-39)29-17-6-2-7-18-29;32-33(25-10-2-1-3-11-25)28-14-6-4-12-26(28)31(27-13-5-7-15-29(27)33)24-18-16-22(17-19-24)23-9-8-20-30-21-23;32-33(25-8-2-1-3-9-25)28-12-6-4-10-26(28)31(27-11-5-7-13-29(27)33)24-16-14-22(15-17-24)23-18-20-30-21-19-23/h3-27H,1-2H3;1-28H;1-27H;2*1-21H |
| InChIKey | ADRJGHWXQIJUDB-UHFFFAOYSA-N |
| XLogP | 38.45 |
| TPSA | 230.45 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 203 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2711.95 |
| LogP ≤ 5 | 38.45 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 20 |
| Structural Alerts | {'alert_name': 'phosphor', 'substructure': 'N/A'} |
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