C192H131N3 — CID 157359441
N-(4-naphthalen-1-ylphenyl)-N-phenyl-4-(5,6,7,8-tetraphenylnaphthalen-2-yl)naphthalen-1-amine;N-phenyl-N-(2-phenylphenyl)-4-(5,6,7,8-tetraphenylnaphthalen-2-yl)naphthalen-1-amine;N-phenyl-N-[4-(5,6,7,8-tetraphenylnaphthalen-2-yl)naphthalen-1-yl]phenanthren-9-amine (PubChem CID 157359441) has the molecular formula C192H131N3 and a molecular weight of 2480.18 g/mol. Its IUPAC name is N-(4-naphthalen-1-ylphenyl)-N-phenyl-4-(5,6,7,8-tetraphenylnaphthalen-2-yl)naphthalen-1-amine;N-phenyl-N-(2-phenylphenyl)-4-(5,6,7,8-tetraphenylnaphthalen-2-yl)naphthalen-1-amine;N-phenyl-N-[4-(5,6,7,8-tetraphenylnaphthalen-2-yl)naphthalen-1-yl]phenanthren-9-amine.
| Compound Name | N-(4-naphthalen-1-ylphenyl)-N-phenyl-4-(5,6,7,8-tetraphenylnaphthalen-2-yl)naphthalen-1-amine;N-phenyl-N-(2-phenylphenyl)-4-(5,6,7,8-tetraphenylnaphthalen-2-yl)naphthalen-1-amine;N-phenyl-N-[4-(5,6,7,8-tetraphenylnaphthalen-2-yl)naphthalen-1-yl]phenanthren-9-amine |
|---|---|
| PubChem CID | 157359441 |
| Molecular Formula | C192H131N3 |
| Molecular Weight | 2480.18 g/mol |
| Exact Mass | 2478.03 |
| IUPAC Name | N-(4-naphthalen-1-ylphenyl)-N-phenyl-4-(5,6,7,8-tetraphenylnaphthalen-2-yl)naphthalen-1-amine;N-phenyl-N-(2-phenylphenyl)-4-(5,6,7,8-tetraphenylnaphthalen-2-yl)naphthalen-1-amine;N-phenyl-N-[4-(5,6,7,8-tetraphenylnaphthalen-2-yl)naphthalen-1-yl]phenanthren-9-amine |
| SMILES | c1ccc(-c2c(-c3ccccc3)c(-c3ccccc3)c3cc(-c4ccc(N(c5ccccc5)c5cc6ccccc6c6ccccc56)c5ccccc45)ccc3c2-c2ccccc2)cc1.c1ccc(-c2c(-c3ccccc3)c(-c3ccccc3)c3cc(-c4ccc(N(c5ccccc5)c5ccc(-c6cccc7ccccc67)cc5)c5ccccc45)ccc3c2-c2ccccc2)cc1.c1ccc(-c2ccccc2N(c2ccccc2)c2ccc(-c3ccc4c(-c5ccccc5)c(-c5ccccc5)c(-c5ccccc5)c(-c5ccccc5)c4c3)c3ccccc23)cc1 |
| InChI | InChI=1S/C66H45N.C64H43N.C62H43N/c1-6-22-48(23-7-1)63-60-42-39-52(45-61(60)64(49-24-8-2-9-25-49)66(51-28-12-4-13-29-51)65(63)50-26-10-3-11-27-50)57-43-44-62(59-35-19-18-34-58(57)59)67(53-31-14-5-15-32-53)54-40-37-47(38-41-54)56-36-20-30-46-21-16-17-33-55(46)56;1-6-22-44(23-7-1)61-57-39-38-49(42-58(57)62(45-24-8-2-9-25-45)64(47-28-12-4-13-29-47)63(61)46-26-10-3-11-27-46)52-40-41-59(55-36-20-18-35-54(52)55)65(50-31-14-5-15-32-50)60-43-48-30-16-17-33-51(48)53-34-19-21-37-56(53)60;1-7-23-44(24-8-1)52-35-21-22-38-57(52)63(50-33-17-6-18-34-50)58-42-41-51(53-36-19-20-37-54(53)58)49-39-40-55-56(43-49)60(46-27-11-3-12-28-46)62(48-31-15-5-16-32-48)61(47-29-13-4-14-30-47)59(55)45-25-9-2-10-26-45/h1-45H;1-43H;1-43H |
| InChIKey | BILQQIVCZORSHG-UHFFFAOYSA-N |
| XLogP | 54.19 |
| TPSA | 9.72 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 26 |
| Heavy Atoms | 195 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2480.18 |
| LogP ≤ 5 | 54.19 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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