C157H124N6 — CID 161315503
7-carbazol-9-yl-N-(4-cyclohexa-1,3-dien-1-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;9-N,9-N-diphenyl-10-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine;N-[4-[4-(4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N,4-diphenylaniline (PubChem CID 161315503) has the molecular formula C157H124N6 and a molecular weight of 2094.76 g/mol. Its IUPAC name is 7-carbazol-9-yl-N-(4-cyclohexa-1,3-dien-1-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;9-N,9-N-diphenyl-10-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine;N-[4-[4-(4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N,4-diphenylaniline.
| Compound Name | 7-carbazol-9-yl-N-(4-cyclohexa-1,3-dien-1-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;9-N,9-N-diphenyl-10-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine;N-[4-[4-(4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N,4-diphenylaniline |
|---|---|
| PubChem CID | 161315503 |
| Molecular Formula | C157H124N6 |
| Molecular Weight | 2094.76 g/mol |
| Exact Mass | 2092.99 |
| IUPAC Name | 7-carbazol-9-yl-N-(4-cyclohexa-1,3-dien-1-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;9-N,9-N-diphenyl-10-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine;N-[4-[4-(4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N,4-diphenylaniline |
| SMILES | CC(C)c1ccc(N(c2ccc(C(C)C)cc2)c2c3ccccc3c(N(c3ccccc3)c3ccccc3)c3ccccc23)cc1.CC1(C)c2cc(N(c3ccc(C4=CC=CCC4)cc3)c3ccc(-c4ccccc4)cc3)ccc2-c2ccc(-n3c4ccccc4c4ccccc43)cc21.c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccc(-c6cccc7ccccc67)cc5)c5ccc(-c6cccc7ccccc67)cc5)cc4)cc3)cc2)cc1 |
| InChI | InChI=1S/C62H44N2.C51H40N2.C44H40N2/c1-3-13-45(14-4-1)46-25-35-54(36-26-46)63(53-19-5-2-6-20-53)55-37-27-47(28-38-55)48-29-39-56(40-30-48)64(57-41-31-51(32-42-57)61-23-11-17-49-15-7-9-21-59(49)61)58-43-33-52(34-44-58)62-24-12-18-50-16-8-10-22-60(50)62;1-51(2)47-33-41(29-31-43(47)44-32-30-42(34-48(44)51)53-49-19-11-9-17-45(49)46-18-10-12-20-50(46)53)52(39-25-21-37(22-26-39)35-13-5-3-6-14-35)40-27-23-38(24-28-40)36-15-7-4-8-16-36;1-31(2)33-23-27-37(28-24-33)46(38-29-25-34(26-30-38)32(3)4)44-41-21-13-11-19-39(41)43(40-20-12-14-22-42(40)44)45(35-15-7-5-8-16-35)36-17-9-6-10-18-36/h1-44H;3-7,9-15,17-34H,8,16H2,1-2H3;5-32H,1-4H3 |
| InChIKey | VJLDFYPHYOAVSM-UHFFFAOYSA-N |
| XLogP | 44.74 |
| TPSA | 21.13 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 6 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 163 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2094.76 |
| LogP ≤ 5 | 44.74 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
| Structural Alerts | {'alert_name': 'diaminobenzene_3', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'} |
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