C129H107Cl2F6N9O — CID 159489159
6-(3-chlorophenyl)-3-methylindolizine;6-(4-chlorophenyl)-3-methylindolizine;6-(3,5-difluorophenyl)-3-methylindolizine;6-(2,3-dimethylphenyl)-3-methylindolizine;6-(3-fluorophenyl)-3-methylindolizine;3-methyl-6-(2-methylphenyl)indolizine;3-methyl-6-(3-methylphenyl)indolizine;6-(4-phenoxyphenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine (PubChem CID 159489159) has the molecular formula C129H107Cl2F6N9O and a molecular weight of 1984.23 g/mol. Its IUPAC name is 6-(3-chlorophenyl)-3-methylindolizine;6-(4-chlorophenyl)-3-methylindolizine;6-(3,5-difluorophenyl)-3-methylindolizine;6-(2,3-dimethylphenyl)-3-methylindolizine;6-(3-fluorophenyl)-3-methylindolizine;3-methyl-6-(2-methylphenyl)indolizine;3-methyl-6-(3-methylphenyl)indolizine;6-(4-phenoxyphenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine.
| Compound Name | 6-(3-chlorophenyl)-3-methylindolizine;6-(4-chlorophenyl)-3-methylindolizine;6-(3,5-difluorophenyl)-3-methylindolizine;6-(2,3-dimethylphenyl)-3-methylindolizine;6-(3-fluorophenyl)-3-methylindolizine;3-methyl-6-(2-methylphenyl)indolizine;3-methyl-6-(3-methylphenyl)indolizine;6-(4-phenoxyphenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine |
|---|---|
| PubChem CID | 159489159 |
| Molecular Formula | C129H107Cl2F6N9O |
| Molecular Weight | 1984.23 g/mol |
| Exact Mass | 1981.79 |
| IUPAC Name | 6-(3-chlorophenyl)-3-methylindolizine;6-(4-chlorophenyl)-3-methylindolizine;6-(3,5-difluorophenyl)-3-methylindolizine;6-(2,3-dimethylphenyl)-3-methylindolizine;6-(3-fluorophenyl)-3-methylindolizine;3-methyl-6-(2-methylphenyl)indolizine;3-methyl-6-(3-methylphenyl)indolizine;6-(4-phenoxyphenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine |
| SMILES | Cc1ccc2ccc(-c3cc(F)cc(F)c3)cn12.Cc1ccc2ccc(-c3ccc(Cl)cc3)cn12.Cc1ccc2ccc(-c3cccc(Cl)c3)cn12.Cc1ccc2ccc(-c3cccc(F)c3)cn12.Cc1cccc(-c2ccc3ccc(C)n3c2)c1.Cc1cccc(-c2ccc3ccc(C)n3c2)c1C.Cc1ccccc1-c1ccc2ccc(C)n2c1.FC(F)(F)c1ncc2ccc(-c3ccc(Oc4ccccc4)cc3)cn12 |
| InChI | InChI=1S/C20H13F3N2O.C17H17N.2C16H15N.2C15H12ClN.C15H11F2N.C15H12FN/c21-20(22,23)19-24-12-16-9-6-15(13-25(16)19)14-7-10-18(11-8-14)26-17-4-2-1-3-5-17;1-12-5-4-6-17(14(12)3)15-8-10-16-9-7-13(2)18(16)11-15;1-12-4-3-5-14(10-12)15-7-9-16-8-6-13(2)17(16)11-15;1-12-5-3-4-6-16(12)14-8-10-15-9-7-13(2)17(15)11-14;1-11-2-8-15-9-5-13(10-17(11)15)12-3-6-14(16)7-4-12;1-11-5-7-15-8-6-13(10-17(11)15)12-3-2-4-14(16)9-12;1-10-2-4-15-5-3-11(9-18(10)15)12-6-13(16)8-14(17)7-12;1-11-5-7-15-8-6-13(10-17(11)15)12-3-2-4-14(16)9-12/h1-13H;4-11H,1-3H3;2*3-11H,1-2H3;2*2-10H,1H3;2-9H,1H3;2-10H,1H3 |
| InChIKey | LXYRNVLTYZQARR-UHFFFAOYSA-N |
| XLogP | 36.17 |
| TPSA | 57.40 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 10 |
| Rotatable Bonds | 10 |
| Heavy Atoms | 147 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1984.23 |
| LogP ≤ 5 | 36.17 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 10 |