C101H65Br3N10 — CID 162259764
7-bromo-5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]pyrido[3,2-b]indole;7-bromo-5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]pyrido[3,2-b]indole;7-bromo-5-[4-(3,5-dipyridin-2-ylphenyl)phenyl]pyrido[3,2-b]indole (PubChem CID 162259764) has the molecular formula C101H65Br3N10 and a molecular weight of 1658.41 g/mol. Its IUPAC name is 7-bromo-5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]pyrido[3,2-b]indole;7-bromo-5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]pyrido[3,2-b]indole;7-bromo-5-[4-(3,5-dipyridin-2-ylphenyl)phenyl]pyrido[3,2-b]indole.
| Compound Name | 7-bromo-5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]pyrido[3,2-b]indole;7-bromo-5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]pyrido[3,2-b]indole;7-bromo-5-[4-(3,5-dipyridin-2-ylphenyl)phenyl]pyrido[3,2-b]indole |
|---|---|
| PubChem CID | 162259764 |
| Molecular Formula | C101H65Br3N10 |
| Molecular Weight | 1658.41 g/mol |
| Exact Mass | 1654.29 |
| IUPAC Name | 7-bromo-5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]pyrido[3,2-b]indole;7-bromo-5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]pyrido[3,2-b]indole;7-bromo-5-[4-(3,5-dipyridin-2-ylphenyl)phenyl]pyrido[3,2-b]indole |
| SMILES | Brc1ccc2c3ncccc3n(-c3ccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)n4)cc3)c2c1.Brc1ccc2c3ncccc3n(-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)cc3)c2c1.Brc1ccc2c3ncccc3n(-c3ccc(-c4cc(-c5ccccn5)cc(-c5ccccn5)c4)cc3)c2c1 |
| InChI | InChI=1S/2C34H22BrN3.C33H21BrN4/c35-27-15-18-29-33(22-27)38(32-12-7-19-36-34(29)32)28-16-13-23(14-17-28)26-20-30(24-8-3-1-4-9-24)37-31(21-26)25-10-5-2-6-11-25;35-27-15-18-29-33(22-27)38(32-12-7-19-36-34(29)32)28-16-13-25(14-17-28)31-21-26(23-8-3-1-4-9-23)20-30(37-31)24-10-5-2-6-11-24;34-26-11-14-28-32(21-26)38(31-8-5-17-37-33(28)31)27-12-9-22(10-13-27)23-18-24(29-6-1-3-15-35-29)20-25(19-23)30-7-2-4-16-36-30/h2*1-22H;1-21H |
| InChIKey | ZZBRPXGLKXPRJF-UHFFFAOYSA-N |
| XLogP | 27.41 |
| TPSA | 105.02 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 10 |
| Rotatable Bonds | 12 |
| Heavy Atoms | 114 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1658.41 |
| LogP ≤ 5 | 27.41 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 10 |