C42H28N2 — CID 168727773
3,5-diphenyl-11-(3-phenylphenyl)indolo[3,2-b]carbazole (PubChem CID 168727773) has the molecular formula C42H28N2 and a molecular weight of 560.70 g/mol. Its IUPAC name is 3,5-diphenyl-11-(3-phenylphenyl)indolo[3,2-b]carbazole.
| Compound Name | 3,5-diphenyl-11-(3-phenylphenyl)indolo[3,2-b]carbazole |
|---|---|
| PubChem CID | 168727773 |
| Molecular Formula | C42H28N2 |
| Molecular Weight | 560.70 g/mol |
| Exact Mass | 560.23 |
| IUPAC Name | 3,5-diphenyl-11-(3-phenylphenyl)indolo[3,2-b]carbazole |
| SMILES | c1ccc(-c2cccc(-n3c4ccccc4c4cc5c(cc43)c3ccc(-c4ccccc4)cc3n5-c3ccccc3)c2)cc1 |
| InChI | InChI=1S/C42H28N2/c1-4-13-29(14-5-1)31-17-12-20-34(25-31)44-39-22-11-10-21-35(39)37-27-41-38(28-42(37)44)36-24-23-32(30-15-6-2-7-16-30)26-40(36)43(41)33-18-8-3-9-19-33/h1-28H |
| InChIKey | VLBGBLVDECBREE-UHFFFAOYSA-N |
| XLogP | 11.21 |
| TPSA | 9.86 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 44 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 560.70 |
| LogP ≤ 5 | 11.21 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |