C60H38N2O — CID 163732904
9-phenyl-3-[3-[8-[3-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-2-yl]phenyl]carbazole (PubChem CID 163732904) has the molecular formula C60H38N2O and a molecular weight of 802.98 g/mol. Its IUPAC name is 9-phenyl-3-[3-[8-[3-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-2-yl]phenyl]carbazole.
| Compound Name | 9-phenyl-3-[3-[8-[3-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-2-yl]phenyl]carbazole |
|---|---|
| PubChem CID | 163732904 |
| Molecular Formula | C60H38N2O |
| Molecular Weight | 802.98 g/mol |
| Exact Mass | 802.30 |
| IUPAC Name | 9-phenyl-3-[3-[8-[3-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-2-yl]phenyl]carbazole |
| SMILES | c1ccc(-n2c3ccccc3c3cc(-c4cccc(-c5ccc6oc7ccc(-c8cccc(-c9ccc%10c(c9)c9ccccc9n%10-c9ccccc9)c8)cc7c6c5)c4)ccc32)cc1 |
| InChI | InChI=1S/C60H38N2O/c1-3-17-47(18-4-1)61-55-23-9-7-21-49(55)51-35-43(25-29-57(51)61)39-13-11-15-41(33-39)45-27-31-59-53(37-45)54-38-46(28-32-60(54)63-59)42-16-12-14-40(34-42)44-26-30-58-52(36-44)50-22-8-10-24-56(50)62(58)48-19-5-2-6-20-48/h1-38H |
| InChIKey | CZGUXWHTUZSRGM-UHFFFAOYSA-N |
| XLogP | 16.45 |
| TPSA | 23.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Heavy Atoms | 63 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 802.98 |
| LogP ≤ 5 | 16.45 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |