C183H124N5O5P5 — CID 165092084
9-[4-[naphthalen-2-yl(phenyl)phosphoryl]phenyl]acridine;2-[4-[naphthalen-2-yl(phenyl)phosphoryl]phenyl]benzo[h]quinoline;5-[4-[naphthalen-2-yl(phenyl)phosphoryl]phenyl]benzo[h]quinoline;7-[4-[naphthalen-2-yl(phenyl)phosphoryl]phenyl]naphtho[2,1-g]quinoline;12-[4-[naphthalen-2-yl(phenyl)phosphoryl]phenyl]naphtho[1,2-h]quinoline (PubChem CID 165092084) has the molecular formula C183H124N5O5P5 and a molecular weight of 2627.90 g/mol. Its IUPAC name is 9-[4-[naphthalen-2-yl(phenyl)phosphoryl]phenyl]acridine;2-[4-[naphthalen-2-yl(phenyl)phosphoryl]phenyl]benzo[h]quinoline;5-[4-[naphthalen-2-yl(phenyl)phosphoryl]phenyl]benzo[h]quinoline;7-[4-[naphthalen-2-yl(phenyl)phosphoryl]phenyl]naphtho[2,1-g]quinoline;12-[4-[naphthalen-2-yl(phenyl)phosphoryl]phenyl]naphtho[1,2-h]quinoline.
| Compound Name | 9-[4-[naphthalen-2-yl(phenyl)phosphoryl]phenyl]acridine;2-[4-[naphthalen-2-yl(phenyl)phosphoryl]phenyl]benzo[h]quinoline;5-[4-[naphthalen-2-yl(phenyl)phosphoryl]phenyl]benzo[h]quinoline;7-[4-[naphthalen-2-yl(phenyl)phosphoryl]phenyl]naphtho[2,1-g]quinoline;12-[4-[naphthalen-2-yl(phenyl)phosphoryl]phenyl]naphtho[1,2-h]quinoline |
|---|---|
| PubChem CID | 165092084 |
| Molecular Formula | C183H124N5O5P5 |
| Molecular Weight | 2627.90 g/mol |
| Exact Mass | 2625.83 |
| IUPAC Name | 9-[4-[naphthalen-2-yl(phenyl)phosphoryl]phenyl]acridine;2-[4-[naphthalen-2-yl(phenyl)phosphoryl]phenyl]benzo[h]quinoline;5-[4-[naphthalen-2-yl(phenyl)phosphoryl]phenyl]benzo[h]quinoline;7-[4-[naphthalen-2-yl(phenyl)phosphoryl]phenyl]naphtho[2,1-g]quinoline;12-[4-[naphthalen-2-yl(phenyl)phosphoryl]phenyl]naphtho[1,2-h]quinoline |
| SMILES | O=P(c1ccccc1)(c1ccc(-c2c3ccccc3nc3ccccc23)cc1)c1ccc2ccccc2c1.O=P(c1ccccc1)(c1ccc(-c2c3cccnc3cc3c2ccc2ccccc23)cc1)c1ccc2ccccc2c1.O=P(c1ccccc1)(c1ccc(-c2cc3c4ccccc4ccc3c3ncccc23)cc1)c1ccc2ccccc2c1.O=P(c1ccccc1)(c1ccc(-c2cc3ccccc3c3ncccc23)cc1)c1ccc2ccccc2c1.O=P(c1ccccc1)(c1ccc(-c2ccc3ccc4ccccc4c3n2)cc1)c1ccc2ccccc2c1 |
| InChI | InChI=1S/2C39H26NOP.3C35H24NOP/c41-42(31-12-2-1-3-13-31,33-22-16-27-9-4-5-11-30(27)25-33)32-20-17-29(18-21-32)39-35-23-19-28-10-6-7-14-34(28)37(35)26-38-36(39)15-8-24-40-38;41-42(31-12-2-1-3-13-31,33-22-16-27-9-4-5-11-30(27)25-33)32-20-17-29(18-21-32)37-26-38-34-14-7-6-10-28(34)19-23-36(38)39-35(37)15-8-24-40-39;37-38(28-12-2-1-3-13-28,30-23-18-25-10-4-5-11-27(25)24-30)29-21-19-26(20-22-29)35-31-14-6-8-16-33(31)36-34-17-9-7-15-32(34)35;37-38(29-12-2-1-3-13-29,31-21-16-25-9-4-5-10-27(25)23-31)30-19-17-26(18-20-30)34-24-28-11-6-7-14-32(28)35-33(34)15-8-22-36-35;37-38(30-11-2-1-3-12-30,32-22-16-25-8-4-5-10-29(25)24-32)31-20-17-27(18-21-31)34-23-19-28-15-14-26-9-6-7-13-33(26)35(28)36-34/h2*1-26H;3*1-24H |
| InChIKey | WWOIOBRHZWHKBT-UHFFFAOYSA-N |
| XLogP | 41.54 |
| TPSA | 149.80 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 10 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 198 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2627.90 |
| LogP ≤ 5 | 41.54 |
| 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'} |
|---|