C61H41N3 — CID 146511276
9-phenyl-9-(9-phenylcarbazol-3-yl)-10-[4-(9-phenylcarbazol-3-yl)phenyl]acridine (PubChem CID 146511276) has the molecular formula C61H41N3 and a molecular weight of 816.02 g/mol. Its IUPAC name is 9-phenyl-9-(9-phenylcarbazol-3-yl)-10-[4-(9-phenylcarbazol-3-yl)phenyl]acridine.
| Compound Name | 9-phenyl-9-(9-phenylcarbazol-3-yl)-10-[4-(9-phenylcarbazol-3-yl)phenyl]acridine |
|---|---|
| PubChem CID | 146511276 |
| Molecular Formula | C61H41N3 |
| Molecular Weight | 816.02 g/mol |
| Exact Mass | 815.33 |
| IUPAC Name | 9-phenyl-9-(9-phenylcarbazol-3-yl)-10-[4-(9-phenylcarbazol-3-yl)phenyl]acridine |
| SMILES | c1ccc(-n2c3ccccc3c3cc(-c4ccc(N5c6ccccc6C(c6ccccc6)(c6ccc7c(c6)c6ccccc6n7-c6ccccc6)c6ccccc65)cc4)ccc32)cc1 |
| InChI | InChI=1S/C61H41N3/c1-4-18-44(19-5-1)61(45-35-39-58-52(41-45)50-25-11-15-29-56(50)63(58)47-22-8-3-9-23-47)53-26-12-16-30-59(53)64(60-31-17-13-27-54(60)61)48-36-32-42(33-37-48)43-34-38-57-51(40-43)49-24-10-14-28-55(49)62(57)46-20-6-2-7-21-46/h1-41H |
| InChIKey | SIRXVLOEKLZSNN-UHFFFAOYSA-N |
| XLogP | 15.71 |
| TPSA | 13.10 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Heavy Atoms | 64 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 816.02 |
| LogP ≤ 5 | 15.71 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |