C177H128F8N20S2 — CID 158435881
2,3-diphenylindazole;1-fluoro-2-phenylimidazo[1,2-a]quinoline;2-[2-fluoro-4-(trifluoromethyl)phenyl]pyridine;2-phenyl-1,3-benzothiazole;2-phenylimidazo[1,2-a]pyridine;1-phenylindazole;2-phenylindazole;1-phenylisoquinoline;3-phenylisoquinoline;2-phenylpyrazolo[1,5-a]pyridine;2-phenylpyridine;2-phenyl-3-(trifluoromethyl)imidazo[1,2-a]pyridine;2-thiophen-2-ylpyridine (PubChem CID 158435881) has the molecular formula C177H128F8N20S2 and a molecular weight of 2751.23 g/mol. Its IUPAC name is 2,3-diphenylindazole;1-fluoro-2-phenylimidazo[1,2-a]quinoline;2-[2-fluoro-4-(trifluoromethyl)phenyl]pyridine;2-phenyl-1,3-benzothiazole;2-phenylimidazo[1,2-a]pyridine;1-phenylindazole;2-phenylindazole;1-phenylisoquinoline;3-phenylisoquinoline;2-phenylpyrazolo[1,5-a]pyridine;2-phenylpyridine;2-phenyl-3-(trifluoromethyl)imidazo[1,2-a]pyridine;2-thiophen-2-ylpyridine.
| Compound Name | 2,3-diphenylindazole;1-fluoro-2-phenylimidazo[1,2-a]quinoline;2-[2-fluoro-4-(trifluoromethyl)phenyl]pyridine;2-phenyl-1,3-benzothiazole;2-phenylimidazo[1,2-a]pyridine;1-phenylindazole;2-phenylindazole;1-phenylisoquinoline;3-phenylisoquinoline;2-phenylpyrazolo[1,5-a]pyridine;2-phenylpyridine;2-phenyl-3-(trifluoromethyl)imidazo[1,2-a]pyridine;2-thiophen-2-ylpyridine |
|---|---|
| PubChem CID | 158435881 |
| Molecular Formula | C177H128F8N20S2 |
| Molecular Weight | 2751.23 g/mol |
| Exact Mass | 2748.99 |
| IUPAC Name | 2,3-diphenylindazole;1-fluoro-2-phenylimidazo[1,2-a]quinoline;2-[2-fluoro-4-(trifluoromethyl)phenyl]pyridine;2-phenyl-1,3-benzothiazole;2-phenylimidazo[1,2-a]pyridine;1-phenylindazole;2-phenylindazole;1-phenylisoquinoline;3-phenylisoquinoline;2-phenylpyrazolo[1,5-a]pyridine;2-phenylpyridine;2-phenyl-3-(trifluoromethyl)imidazo[1,2-a]pyridine;2-thiophen-2-ylpyridine |
| SMILES | FC(F)(F)c1c(-c2ccccc2)nc2ccccn12.Fc1c(-c2ccccc2)nc2ccc3ccccc3n12.Fc1cc(C(F)(F)F)ccc1-c1ccccn1.c1ccc(-c2c3ccccc3nn2-c2ccccc2)cc1.c1ccc(-c2cc3ccccc3cn2)cc1.c1ccc(-c2cc3ccccn3n2)cc1.c1ccc(-c2ccccn2)cc1.c1ccc(-c2cccs2)nc1.c1ccc(-c2cn3ccccc3n2)cc1.c1ccc(-c2nc3ccccc3s2)cc1.c1ccc(-c2nccc3ccccc23)cc1.c1ccc(-n2cc3ccccc3n2)cc1.c1ccc(-n2ncc3ccccc32)cc1 |
| InChI | InChI=1S/C19H14N2.C17H11FN2.2C15H11N.C14H9F3N2.4C13H10N2.C13H9NS.C12H7F4N.C11H9N.C9H7NS/c1-3-9-15(10-4-1)19-17-13-7-8-14-18(17)20-21(19)16-11-5-2-6-12-16;18-17-16(13-7-2-1-3-8-13)19-15-11-10-12-6-4-5-9-14(12)20(15)17;1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;1-2-6-12(7-3-1)15-10-13-8-4-5-9-14(13)11-16-15;15-14(16,17)13-12(10-6-2-1-3-7-10)18-11-8-4-5-9-19(11)13;1-2-7-12(8-3-1)15-10-11-6-4-5-9-13(11)14-15;1-2-7-12(8-3-1)15-13-9-5-4-6-11(13)10-14-15;1-2-6-11(7-3-1)12-10-15-9-5-4-8-13(15)14-12;1-2-6-11(7-3-1)13-10-12-8-4-5-9-15(12)14-13;1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13;13-10-7-8(12(14,15)16)4-5-9(10)11-3-1-2-6-17-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-2-6-10-8(4-1)9-5-3-7-11-9/h1-14H;1-11H;2*1-11H;1-9H;4*1-10H;1-9H;1-7H;1-9H;1-7H |
| InChIKey | HCFGEOVXFPUEJY-UHFFFAOYSA-N |
| XLogP | 46.29 |
| TPSA | 200.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 22 |
| Rotatable Bonds | 14 |
| Heavy Atoms | 207 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2751.23 |
| LogP ≤ 5 | 46.29 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 22 |