C133H104N4 — CID 158799608
N-[4-[9-[7-(3,5-dimethylphenyl)-9,9-dimethylfluoren-2-yl]carbazol-3-yl]phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine;N-[4-[9-[7-(3,5-dimethylphenyl)-9,9-dimethylfluoren-2-yl]carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 158799608) has the molecular formula C133H104N4 and a molecular weight of 1758.32 g/mol. Its IUPAC name is N-[4-[9-[7-(3,5-dimethylphenyl)-9,9-dimethylfluoren-2-yl]carbazol-3-yl]phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine;N-[4-[9-[7-(3,5-dimethylphenyl)-9,9-dimethylfluoren-2-yl]carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.
| Compound Name | N-[4-[9-[7-(3,5-dimethylphenyl)-9,9-dimethylfluoren-2-yl]carbazol-3-yl]phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine;N-[4-[9-[7-(3,5-dimethylphenyl)-9,9-dimethylfluoren-2-yl]carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline |
|---|---|
| PubChem CID | 158799608 |
| Molecular Formula | C133H104N4 |
| Molecular Weight | 1758.32 g/mol |
| Exact Mass | 1756.83 |
| IUPAC Name | N-[4-[9-[7-(3,5-dimethylphenyl)-9,9-dimethylfluoren-2-yl]carbazol-3-yl]phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine;N-[4-[9-[7-(3,5-dimethylphenyl)-9,9-dimethylfluoren-2-yl]carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline |
| SMILES | Cc1cc(C)cc(-c2ccc3c(c2)C(C)(C)c2cc(-n4c5ccccc5c5cc(-c6ccc(N(c7ccc(-c8ccccc8)cc7)c7ccc(-c8ccccc8)cc7)cc6)ccc54)ccc2-3)c1.Cc1cc(C)cc(-c2ccc3c(c2)C(C)(C)c2cc(-n4c5ccccc5c5cc(-c6ccc(N(c7ccc8c(c7)C(C)(C)c7ccccc7-8)c7ccccc7-c7ccccc7)cc6)ccc54)ccc2-3)c1 |
| InChI | InChI=1S/C68H54N2.C65H50N2/c1-43-36-44(2)38-49(37-43)48-26-32-55-57-34-31-52(42-63(57)68(5,6)61(55)40-48)70-65-23-15-12-20-58(65)59-39-47(27-35-66(59)70)45-24-28-50(29-25-45)69(64-22-14-11-18-53(64)46-16-8-7-9-17-46)51-30-33-56-54-19-10-13-21-60(54)67(3,4)62(56)41-51;1-43-37-44(2)39-52(38-43)51-25-34-57-58-35-33-56(42-62(58)65(3,4)61(57)41-51)67-63-18-12-11-17-59(63)60-40-50(26-36-64(60)67)49-23-31-55(32-24-49)66(53-27-19-47(20-28-53)45-13-7-5-8-14-45)54-29-21-48(22-30-54)46-15-9-6-10-16-46/h7-42H,1-6H3;5-42H,1-4H3 |
| InChIKey | ITHULBUSRNFIOR-UHFFFAOYSA-N |
| XLogP | 36.33 |
| TPSA | 16.34 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 15 |
| Heavy Atoms | 137 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1758.32 |
| LogP ≤ 5 | 36.33 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |