C61H42N2O — CID 58510584
7-carbazol-9-yl-N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)fluoren-2-amine (PubChem CID 58510584) has the molecular formula C61H42N2O and a molecular weight of 819.02 g/mol. Its IUPAC name is 7-carbazol-9-yl-N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)fluoren-2-amine.
| Compound Name | 7-carbazol-9-yl-N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)fluoren-2-amine |
|---|---|
| PubChem CID | 58510584 |
| Molecular Formula | C61H42N2O |
| Molecular Weight | 819.02 g/mol |
| Exact Mass | 818.33 |
| IUPAC Name | 7-carbazol-9-yl-N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)fluoren-2-amine |
| SMILES | CC1(C)c2cc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)ccc2-c2ccc(-n3c4ccccc4c4ccccc43)cc21 |
| InChI | InChI=1S/C61H42N2O/c1-61(2)55-37-47(30-32-49(55)50-33-31-48(38-56(50)61)63-57-16-8-5-13-51(57)52-14-6-9-17-58(52)63)62(45-26-21-40(22-27-45)43-20-19-39-11-3-4-12-42(39)35-43)46-28-23-41(24-29-46)44-25-34-60-54(36-44)53-15-7-10-18-59(53)64-60/h3-38H,1-2H3 |
| InChIKey | GPSXMCUCPSQVEM-UHFFFAOYSA-N |
| XLogP | 16.95 |
| TPSA | 21.31 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Heavy Atoms | 64 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 819.02 |
| LogP ≤ 5 | 16.95 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |