C235H162N21O5P5 — CID 159948253
2,8-di(carbazol-9-yl)-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenylphenophosphazinine 10-oxide;10-(3,5-diphenylphenyl)-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenophosphazinine 10-oxide;5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]-10-phenylphenophosphazinine 10-oxide;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-(3-pyridin-3-ylphenyl)phenophosphazinine 10-oxide;10-phenyl-5-(3-pyridin-3-ylphenyl)phenophosphazinine 10-oxide (PubChem CID 159948253) has the molecular formula C235H162N21O5P5 and a molecular weight of 3514.89 g/mol. Its IUPAC name is 2,8-di(carbazol-9-yl)-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenylphenophosphazinine 10-oxide;10-(3,5-diphenylphenyl)-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenophosphazinine 10-oxide;5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]-10-phenylphenophosphazinine 10-oxide;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-(3-pyridin-3-ylphenyl)phenophosphazinine 10-oxide;10-phenyl-5-(3-pyridin-3-ylphenyl)phenophosphazinine 10-oxide.
| Compound Name | 2,8-di(carbazol-9-yl)-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenylphenophosphazinine 10-oxide;10-(3,5-diphenylphenyl)-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenophosphazinine 10-oxide;5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]-10-phenylphenophosphazinine 10-oxide;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-(3-pyridin-3-ylphenyl)phenophosphazinine 10-oxide;10-phenyl-5-(3-pyridin-3-ylphenyl)phenophosphazinine 10-oxide |
|---|---|
| PubChem CID | 159948253 |
| Molecular Formula | C235H162N21O5P5 |
| Molecular Weight | 3514.89 g/mol |
| Exact Mass | 3512.18 |
| IUPAC Name | 2,8-di(carbazol-9-yl)-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenylphenophosphazinine 10-oxide;10-(3,5-diphenylphenyl)-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenophosphazinine 10-oxide;5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]-10-phenylphenophosphazinine 10-oxide;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-(3-pyridin-3-ylphenyl)phenophosphazinine 10-oxide;10-phenyl-5-(3-pyridin-3-ylphenyl)phenophosphazinine 10-oxide |
| SMILES | CC1(C)c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-c2ccc(N3c4ccccc4P(=O)(c4ccccc4)c4ccccc43)cc21.O=P1(c2cc(-c3ccccc3)cc(-c3ccccc3)c2)c2ccccc2N(c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)c2ccccc21.O=P1(c2cccc(-c3cccnc3)c2)c2ccccc2N(c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)c2ccccc21.O=P1(c2ccccc2)c2cc(-n3c4ccccc4c4ccccc43)ccc2N(c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)c2ccc(-n3c4ccccc4c4ccccc43)cc21.O=P1(c2ccccc2)c2ccccc2N(c2cccc(-c3cccnc3)c2)c2ccccc21 |
| InChI | InChI=1S/C63H41N6OP.C51H35N4OP.C48H35N4OP.C44H30N5OP.C29H21N2OP/c70-71(48-22-8-3-9-23-48)59-40-46(68-53-28-14-10-24-49(53)50-25-11-15-29-54(50)68)36-38-57(59)67(58-39-37-47(41-60(58)71)69-55-30-16-12-26-51(55)52-27-13-17-31-56(52)69)45-34-32-44(33-35-45)63-65-61(42-18-4-1-5-19-42)64-62(66-63)43-20-6-2-7-21-43;56-57(44-34-41(36-17-5-1-6-18-36)33-42(35-44)37-19-7-2-8-20-37)47-27-15-13-25-45(47)55(46-26-14-16-28-48(46)57)43-31-29-40(30-32-43)51-53-49(38-21-9-3-10-22-38)52-50(54-51)39-23-11-4-12-24-39;1-48(2)39-30-34(47-50-45(32-16-6-3-7-17-32)49-46(51-47)33-18-8-4-9-19-33)26-28-37(39)38-29-27-35(31-40(38)48)52-41-22-12-14-24-43(41)54(53,36-20-10-5-11-21-36)44-25-15-13-23-42(44)52;50-51(37-19-11-17-34(29-37)35-18-12-28-45-30-35)40-22-9-7-20-38(40)49(39-21-8-10-23-41(39)51)36-26-24-33(25-27-36)44-47-42(31-13-3-1-4-14-31)46-43(48-44)32-15-5-2-6-16-32;32-33(25-13-2-1-3-14-25)28-17-6-4-15-26(28)31(27-16-5-7-18-29(27)33)24-12-8-10-22(20-24)23-11-9-19-30-21-23/h1-41H;1-35H;3-31H,1-2H3;1-30H;1-21H |
| InChIKey | OBTPVNKLFCKNHX-UHFFFAOYSA-N |
| XLogP | 52.25 |
| TPSA | 291.87 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 26 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 266 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3514.89 |
| LogP ≤ 5 | 52.25 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 26 |
| Structural Alerts | {'alert_name': 'phosphor', 'substructure': 'N/A'} |
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