C180H138N6O10P10 — CID 158946207
4-[2,6-bis(diphenylphosphoryl)phenyl]-2-phenylpyridine;2-[2,6-bis(diphenylphosphoryl)phenyl]pyridine;3-[2,6-bis(diphenylphosphoryl)phenyl]pyridine;4-[2,6-bis(diphenylphosphoryl)phenyl]pyridine;2-[2,6-bis(diphenylphosphoryl)phenyl]pyrimidine (PubChem CID 158946207) has the molecular formula C180H138N6O10P10 and a molecular weight of 2854.86 g/mol. Its IUPAC name is 4-[2,6-bis(diphenylphosphoryl)phenyl]-2-phenylpyridine;2-[2,6-bis(diphenylphosphoryl)phenyl]pyridine;3-[2,6-bis(diphenylphosphoryl)phenyl]pyridine;4-[2,6-bis(diphenylphosphoryl)phenyl]pyridine;2-[2,6-bis(diphenylphosphoryl)phenyl]pyrimidine.
| Compound Name | 4-[2,6-bis(diphenylphosphoryl)phenyl]-2-phenylpyridine;2-[2,6-bis(diphenylphosphoryl)phenyl]pyridine;3-[2,6-bis(diphenylphosphoryl)phenyl]pyridine;4-[2,6-bis(diphenylphosphoryl)phenyl]pyridine;2-[2,6-bis(diphenylphosphoryl)phenyl]pyrimidine |
|---|---|
| PubChem CID | 158946207 |
| Molecular Formula | C180H138N6O10P10 |
| Molecular Weight | 2854.86 g/mol |
| Exact Mass | 2852.79 |
| IUPAC Name | 4-[2,6-bis(diphenylphosphoryl)phenyl]-2-phenylpyridine;2-[2,6-bis(diphenylphosphoryl)phenyl]pyridine;3-[2,6-bis(diphenylphosphoryl)phenyl]pyridine;4-[2,6-bis(diphenylphosphoryl)phenyl]pyridine;2-[2,6-bis(diphenylphosphoryl)phenyl]pyrimidine |
| SMILES | O=P(c1ccccc1)(c1ccccc1)c1cccc(P(=O)(c2ccccc2)c2ccccc2)c1-c1ccccn1.O=P(c1ccccc1)(c1ccccc1)c1cccc(P(=O)(c2ccccc2)c2ccccc2)c1-c1cccnc1.O=P(c1ccccc1)(c1ccccc1)c1cccc(P(=O)(c2ccccc2)c2ccccc2)c1-c1ccnc(-c2ccccc2)c1.O=P(c1ccccc1)(c1ccccc1)c1cccc(P(=O)(c2ccccc2)c2ccccc2)c1-c1ccncc1.O=P(c1ccccc1)(c1ccccc1)c1cccc(P(=O)(c2ccccc2)c2ccccc2)c1-c1ncccn1 |
| InChI | InChI=1S/C41H31NO2P2.3C35H27NO2P2.C34H26N2O2P2/c43-45(34-19-8-2-9-20-34,35-21-10-3-11-22-35)39-27-16-28-40(41(39)33-29-30-42-38(31-33)32-17-6-1-7-18-32)46(44,36-23-12-4-13-24-36)37-25-14-5-15-26-37;37-39(29-16-5-1-6-17-29,30-18-7-2-8-19-30)33-24-13-25-34(35(33)28-15-14-26-36-27-28)40(38,31-20-9-3-10-21-31)32-22-11-4-12-23-32;37-39(28-16-5-1-6-17-28,29-18-7-2-8-19-29)33-25-15-26-34(35(33)32-24-13-14-27-36-32)40(38,30-20-9-3-10-21-30)31-22-11-4-12-23-31;37-39(29-14-5-1-6-15-29,30-16-7-2-8-17-30)33-22-13-23-34(35(33)28-24-26-36-27-25-28)40(38,31-18-9-3-10-19-31)32-20-11-4-12-21-32;37-39(27-15-5-1-6-16-27,28-17-7-2-8-18-28)31-23-13-24-32(33(31)34-35-25-14-26-36-34)40(38,29-19-9-3-10-20-29)30-21-11-4-12-22-30/h1-31H;3*1-27H;1-26H |
| InChIKey | JKVVGMGPAIIZCK-UHFFFAOYSA-N |
| XLogP | 31.20 |
| TPSA | 248.04 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 36 |
| Heavy Atoms | 206 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2854.86 |
| LogP ≤ 5 | 31.20 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 16 |
| Structural Alerts | {'alert_name': 'phosphor', 'substructure': 'N/A'} |
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