C162H131F11N24OPt6 — CID 157371595
2-[6-[1-[1-(3-tert-butylbenzene-6-id-1-yl)pyrazol-3-yl]-1-phenylethyl]-2-pyridinyl]-6-fluoro-3H-pyridin-3-ide;2-[6-[2-[1-(3-tert-butylbenzene-6-id-1-yl)pyrazol-3-yl]propan-2-yl]-2-pyridinyl]-6-methyl-3H-pyridin-3-ide;2-(6-fluoro-3H-pyridin-3-id-2-yl)-4-methoxy-6-[2-(1-phenylpyrazol-3-yl)propan-2-yl]pyridine;2-[6-[2-[1-(3H-naphthalen-3-id-2-yl)pyrazol-3-yl]propan-2-yl]-2-pyridinyl]-3H-quinolin-3-ide;4-[6-[2-[1-(2H-naphthalen-2-id-1-yl)pyrazol-3-yl]propan-2-yl]-2-pyridinyl]-6-(trifluoromethyl)-3H-pyridin-3-ide;hexakis(platinum(2+));6-(trifluoromethyl)-2-[6-[2-[1-[3-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]propan-2-yl]-2-pyridinyl]-3H-pyridin-3-ide (PubChem CID 157371595) has the molecular formula C162H131F11N24OPt6 and a molecular weight of 3809.44 g/mol. Its IUPAC name is 2-[6-[1-[1-(3-tert-butylbenzene-6-id-1-yl)pyrazol-3-yl]-1-phenylethyl]-2-pyridinyl]-6-fluoro-3H-pyridin-3-ide;2-[6-[2-[1-(3-tert-butylbenzene-6-id-1-yl)pyrazol-3-yl]propan-2-yl]-2-pyridinyl]-6-methyl-3H-pyridin-3-ide;2-(6-fluoro-3H-pyridin-3-id-2-yl)-4-methoxy-6-[2-(1-phenylpyrazol-3-yl)propan-2-yl]pyridine;2-[6-[2-[1-(3H-naphthalen-3-id-2-yl)pyrazol-3-yl]propan-2-yl]-2-pyridinyl]-3H-quinolin-3-ide;4-[6-[2-[1-(2H-naphthalen-2-id-1-yl)pyrazol-3-yl]propan-2-yl]-2-pyridinyl]-6-(trifluoromethyl)-3H-pyridin-3-ide;hexakis(platinum(2+));6-(trifluoromethyl)-2-[6-[2-[1-[3-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]propan-2-yl]-2-pyridinyl]-3H-pyridin-3-ide.
| Compound Name | 2-[6-[1-[1-(3-tert-butylbenzene-6-id-1-yl)pyrazol-3-yl]-1-phenylethyl]-2-pyridinyl]-6-fluoro-3H-pyridin-3-ide;2-[6-[2-[1-(3-tert-butylbenzene-6-id-1-yl)pyrazol-3-yl]propan-2-yl]-2-pyridinyl]-6-methyl-3H-pyridin-3-ide;2-(6-fluoro-3H-pyridin-3-id-2-yl)-4-methoxy-6-[2-(1-phenylpyrazol-3-yl)propan-2-yl]pyridine;2-[6-[2-[1-(3H-naphthalen-3-id-2-yl)pyrazol-3-yl]propan-2-yl]-2-pyridinyl]-3H-quinolin-3-ide;4-[6-[2-[1-(2H-naphthalen-2-id-1-yl)pyrazol-3-yl]propan-2-yl]-2-pyridinyl]-6-(trifluoromethyl)-3H-pyridin-3-ide;hexakis(platinum(2+));6-(trifluoromethyl)-2-[6-[2-[1-[3-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]propan-2-yl]-2-pyridinyl]-3H-pyridin-3-ide |
|---|---|
| PubChem CID | 157371595 |
| Molecular Formula | C162H131F11N24OPt6 |
| Molecular Weight | 3809.44 g/mol |
| Exact Mass | 3806.86 |
| IUPAC Name | 2-[6-[1-[1-(3-tert-butylbenzene-6-id-1-yl)pyrazol-3-yl]-1-phenylethyl]-2-pyridinyl]-6-fluoro-3H-pyridin-3-ide;2-[6-[2-[1-(3-tert-butylbenzene-6-id-1-yl)pyrazol-3-yl]propan-2-yl]-2-pyridinyl]-6-methyl-3H-pyridin-3-ide;2-(6-fluoro-3H-pyridin-3-id-2-yl)-4-methoxy-6-[2-(1-phenylpyrazol-3-yl)propan-2-yl]pyridine;2-[6-[2-[1-(3H-naphthalen-3-id-2-yl)pyrazol-3-yl]propan-2-yl]-2-pyridinyl]-3H-quinolin-3-ide;4-[6-[2-[1-(2H-naphthalen-2-id-1-yl)pyrazol-3-yl]propan-2-yl]-2-pyridinyl]-6-(trifluoromethyl)-3H-pyridin-3-ide;hexakis(platinum(2+));6-(trifluoromethyl)-2-[6-[2-[1-[3-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]propan-2-yl]-2-pyridinyl]-3H-pyridin-3-ide |
| SMILES | CC(C)(C)c1cc[c-]c(-n2ccc(C(C)(c3ccccc3)c3cccc(-c4[c-]ccc(F)n4)n3)n2)c1.CC(C)(c1cccc(-c2[c-]cc3ccccc3n2)n1)c1ccn(-c2[c-]cc3ccccc3c2)n1.CC(C)(c1cccc(-c2[c-]ccc(C(F)(F)F)n2)n1)c1ccn(-c2[c-]ccc(C(F)(F)F)c2)n1.CC(C)(c1cccc(-c2[c-]cnc(C(F)(F)F)c2)n1)c1ccn(-c2[c-]ccc3ccccc23)n1.COc1cc(-c2[c-]ccc(F)n2)nc(C(C)(C)c2ccn(-c3[c-]cccc3)n2)c1.Cc1cc[c-]c(-c2cccc(C(C)(C)c3ccn(-c4[c-]ccc(C(C)(C)C)c4)n3)n2)n1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2] |
| InChI | InChI=1S/C31H27FN4.C30H22N4.C27H19F3N4.C27H28N4.C24H16F6N4.C23H19FN4O.6Pt/c1-30(2,3)23-13-8-14-24(21-23)36-20-19-28(35-36)31(4,22-11-6-5-7-12-22)27-17-9-15-25(33-27)26-16-10-18-29(32)34-26;1-30(2,29-18-19-34(33-29)24-16-14-21-8-3-4-10-23(21)20-24)28-13-7-12-26(32-28)27-17-15-22-9-5-6-11-25(22)31-27;1-26(2,23-12-6-10-21(32-23)19-13-15-31-25(17-19)27(28,29)30)24-14-16-34(33-24)22-11-5-8-18-7-3-4-9-20(18)22;1-19-10-7-13-22(28-19)23-14-9-15-24(29-23)27(5,6)25-16-17-31(30-25)21-12-8-11-20(18-21)26(2,3)4;1-22(2,20-12-13-34(33-20)16-7-3-6-15(14-16)23(25,26)27)19-10-4-8-17(31-19)18-9-5-11-21(32-18)24(28,29)30;1-23(2,20-12-13-28(27-20)16-8-5-4-6-9-16)21-15-17(29-3)14-19(25-21)18-10-7-11-22(24)26-18;;;;;;/h5-13,15,17-21H,1-4H3;3-15,18-20H,1-2H3;3-10,12,14-17H,1-2H3;7-11,14-18H,1-6H3;3-6,8,10-14H,1-2H3;4-8,11-15H,1-3H3;;;;;;/q6*-2;6*+2 |
| InChIKey | LMAHZIYMGPAWEF-UHFFFAOYSA-N |
| XLogP | 36.25 |
| TPSA | 270.83 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 25 |
| Rotatable Bonds | 26 |
| Heavy Atoms | 204 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3809.44 |
| LogP ≤ 5 | 36.25 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 25 |
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'} |
|---|