C163H118N6 — CID 157400056
7-carbazol-9-yl-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;4-N,4-N-dinaphthalen-2-yl-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine;N-[4-[4-(4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N,4-diphenylaniline (PubChem CID 157400056) has the molecular formula C163H118N6 and a molecular weight of 2160.78 g/mol. Its IUPAC name is 7-carbazol-9-yl-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;4-N,4-N-dinaphthalen-2-yl-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-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-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;4-N,4-N-dinaphthalen-2-yl-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine;N-[4-[4-(4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N,4-diphenylaniline |
|---|---|
| PubChem CID | 157400056 |
| Molecular Formula | C163H118N6 |
| Molecular Weight | 2160.78 g/mol |
| Exact Mass | 2158.94 |
| IUPAC Name | 7-carbazol-9-yl-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;4-N,4-N-dinaphthalen-2-yl-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine;N-[4-[4-(4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N,4-diphenylaniline |
| SMILES | CC1(C)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)ccc2-c2ccc(-n3c4ccccc4c4ccccc43)cc21.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(N(c4ccc5ccccc5c4)c4ccc5ccccc5c4)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccc(-c6cccc7ccccc67)cc5)c5ccc(-c6cccc7ccccc67)cc5)cc4)cc3)cc2)cc1 |
| InChI | InChI=1S/C62H44N2.C51H38N2.C50H36N2/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;1-3-11-37(12-4-1)41-19-25-45(26-20-41)51(46-27-21-42(22-28-46)38-13-5-2-6-14-38)47-31-33-48(34-32-47)52(49-29-23-39-15-7-9-17-43(39)35-49)50-30-24-40-16-8-10-18-44(40)36-50/h1-44H;3-34H,1-2H3;1-36H |
| InChIKey | BNAVNJXPLHZHDC-UHFFFAOYSA-N |
| XLogP | 45.76 |
| TPSA | 21.13 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 6 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 169 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2160.78 |
| LogP ≤ 5 | 45.76 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |