C127H104F12N22O2Pt5 — CID 157190245
2-(4-tert-butyl-2H-pyrrol-2-id-1-yl)-6-[2-[6-(4-tert-butyl-2H-pyrrol-2-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;1-(3H-dibenzofuran-3-id-4-yl)-3-[2-[1-(3H-dibenzofuran-3-id-4-yl)pyrazol-3-yl]propan-2-yl]pyrazole;1-phenyl-3-[2-(1-phenylpyrazol-3-yl)propan-2-yl]pyrazole;pentakis(platinum(2+));2-[4-(trifluoromethyl)-2H-imidazol-2-id-1-yl]-6-[2-[6-[4-(trifluoromethyl)-2H-imidazol-2-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;2-[4-(trifluoromethyl)-2H-pyrrol-2-id-1-yl]-6-[2-[6-[4-(trifluoromethyl)-2H-pyrrol-2-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine (PubChem CID 157190245) has the molecular formula C127H104F12N22O2Pt5 and a molecular weight of 3173.75 g/mol. Its IUPAC name is 2-(4-tert-butyl-2H-pyrrol-2-id-1-yl)-6-[2-[6-(4-tert-butyl-2H-pyrrol-2-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;1-(3H-dibenzofuran-3-id-4-yl)-3-[2-[1-(3H-dibenzofuran-3-id-4-yl)pyrazol-3-yl]propan-2-yl]pyrazole;1-phenyl-3-[2-(1-phenylpyrazol-3-yl)propan-2-yl]pyrazole;pentakis(platinum(2+));2-[4-(trifluoromethyl)-2H-imidazol-2-id-1-yl]-6-[2-[6-[4-(trifluoromethyl)-2H-imidazol-2-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;2-[4-(trifluoromethyl)-2H-pyrrol-2-id-1-yl]-6-[2-[6-[4-(trifluoromethyl)-2H-pyrrol-2-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine.
| Compound Name | 2-(4-tert-butyl-2H-pyrrol-2-id-1-yl)-6-[2-[6-(4-tert-butyl-2H-pyrrol-2-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;1-(3H-dibenzofuran-3-id-4-yl)-3-[2-[1-(3H-dibenzofuran-3-id-4-yl)pyrazol-3-yl]propan-2-yl]pyrazole;1-phenyl-3-[2-(1-phenylpyrazol-3-yl)propan-2-yl]pyrazole;pentakis(platinum(2+));2-[4-(trifluoromethyl)-2H-imidazol-2-id-1-yl]-6-[2-[6-[4-(trifluoromethyl)-2H-imidazol-2-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;2-[4-(trifluoromethyl)-2H-pyrrol-2-id-1-yl]-6-[2-[6-[4-(trifluoromethyl)-2H-pyrrol-2-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine |
|---|---|
| PubChem CID | 157190245 |
| Molecular Formula | C127H104F12N22O2Pt5 |
| Molecular Weight | 3173.75 g/mol |
| Exact Mass | 3171.68 |
| IUPAC Name | 2-(4-tert-butyl-2H-pyrrol-2-id-1-yl)-6-[2-[6-(4-tert-butyl-2H-pyrrol-2-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;1-(3H-dibenzofuran-3-id-4-yl)-3-[2-[1-(3H-dibenzofuran-3-id-4-yl)pyrazol-3-yl]propan-2-yl]pyrazole;1-phenyl-3-[2-(1-phenylpyrazol-3-yl)propan-2-yl]pyrazole;pentakis(platinum(2+));2-[4-(trifluoromethyl)-2H-imidazol-2-id-1-yl]-6-[2-[6-[4-(trifluoromethyl)-2H-imidazol-2-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;2-[4-(trifluoromethyl)-2H-pyrrol-2-id-1-yl]-6-[2-[6-[4-(trifluoromethyl)-2H-pyrrol-2-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine |
| SMILES | CC(C)(C)c1c[c-]n(-c2cccc(C(C)(C)c3cccc(-n4[c-]cc(C(C)(C)C)c4)n3)n2)c1.CC(C)(c1cccc(-n2[c-]cc(C(F)(F)F)c2)n1)c1cccc(-n2[c-]cc(C(F)(F)F)c2)n1.CC(C)(c1cccc(-n2[c-]nc(C(F)(F)F)c2)n1)c1cccc(-n2[c-]nc(C(F)(F)F)c2)n1.CC(C)(c1ccn(-c2[c-]ccc3c2oc2ccccc23)n1)c1ccn(-c2[c-]ccc3c2oc2ccccc23)n1.CC(C)(c1ccn(-c2[c-]cccc2)n1)c1ccn(-c2[c-]cccc2)n1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2] |
| InChI | InChI=1S/C33H22N4O2.C29H34N4.C23H16F6N4.C21H14F6N6.C21H18N4.5Pt/c1-33(2,29-17-19-36(34-29)25-13-7-11-23-21-9-3-5-15-27(21)38-31(23)25)30-18-20-37(35-30)26-14-8-12-24-22-10-4-6-16-28(22)39-32(24)26;1-27(2,3)21-15-17-32(19-21)25-13-9-11-23(30-25)29(7,8)24-12-10-14-26(31-24)33-18-16-22(20-33)28(4,5)6;1-21(2,17-5-3-7-19(30-17)32-11-9-15(13-32)22(24,25)26)18-6-4-8-20(31-18)33-12-10-16(14-33)23(27,28)29;1-19(2,13-5-3-7-17(30-13)32-9-15(28-11-32)20(22,23)24)14-6-4-8-18(31-14)33-10-16(29-12-33)21(25,26)27;1-21(2,19-13-15-24(22-19)17-9-5-3-6-10-17)20-14-16-25(23-20)18-11-7-4-8-12-18;;;;;/h3-12,15-20H,1-2H3;9-16,19-20H,1-8H3;3-10,13-14H,1-2H3;3-10H,1-2H3;3-9,11,13-16H,1-2H3;;;;;/q5*-2;5*+2 |
| InChIKey | UJCDHHGPSNSHOI-UHFFFAOYSA-N |
| XLogP | 29.17 |
| TPSA | 230.26 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 168 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3173.75 |
| LogP ≤ 5 | 29.17 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 24 |
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'} |
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