2-bromo-4-(trifluoromethyl)pyridine;2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9H-carbazole;2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9-[4-(trifluoromethyl)-2-pyridinyl]carbazole;platinum(2+)
C87H62BrF9N12O3Pt — CID 161480012
Data last refreshed: (MolForge compound catalog, from PubChem)
About 2-bromo-4-(trifluoromethyl)pyridine;2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9H-carbazole;2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9-[4-(trifluoromethyl)-2-pyridinyl]carbazole;platinum(2+)
2-bromo-4-(trifluoromethyl)pyridine;2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9H-carbazole;2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9-[4-(trifluoromethyl)-2-pyridinyl]carbazole;platinum(2+) (PubChem CID 161480012) has the molecular formula C87H62BrF9N12O3Pt and a molecular weight of 1769.50 g/mol. Its IUPAC name is 2-bromo-4-(trifluoromethyl)pyridine;2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9H-carbazole;2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9-[4-(trifluoromethyl)-2-pyridinyl]carbazole;platinum(2+).
Molecular Properties
| Compound Name | 2-bromo-4-(trifluoromethyl)pyridine;2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9H-carbazole;2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9-[4-(trifluoromethyl)-2-pyridinyl]carbazole;platinum(2+) |
|---|---|
| PubChem CID | 161480012 |
| Molecular Formula | C87H62BrF9N12O3Pt |
| Molecular Weight | 1769.50 g/mol |
| Exact Mass | 1767.38 |
| IUPAC Name | 2-bromo-4-(trifluoromethyl)pyridine;2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9H-carbazole;2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9-[4-(trifluoromethyl)-2-pyridinyl]carbazole;platinum(2+) |
| SMILES | Cc1cc(C)n(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(F)(F)F)ccn3)ccc2)n1.Cc1cc(C)n(-c2cccc(Oc3ccc4c(c3)[nH]c3ccccc34)c2)n1.Cc1cc(C)n(-c2cccc(Oc3ccc4c5ccccc5n(-c5cc(C(F)(F)F)ccn5)c4c3)c2)n1.FC(F)(F)c1ccnc(Br)c1.[Pt+2] |
| InChI | InChI=1S/C29H21F3N4O.C29H19F3N4O.C23H19N3O.C6H3BrF3N.Pt/c2*1-18-14-19(2)36(34-18)21-6-5-7-22(16-21)37-23-10-11-25-24-8-3-4-9-26(24)35(27(25)17-23)28-15-20(12-13-33-28)29(30,31)32;1-15-12-16(2)26(25-15)17-6-5-7-18(13-17)27-19-10-11-21-20-8-3-4-9-22(20)24-23(21)14-19;7-5-3-4(1-2-11-5)6(8,9)10;/h3-17H,1-2H3;3-15H,1-2H3;3-14,24H,1-2H3;1-3H;/q;-2;;;+2 |
| InChIKey | BZXIHVHNCWYDSP-UHFFFAOYSA-N |
| XLogP | 23.96 |
| TPSA | 145.47 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 14 |
| Rotatable Bonds | 11 |
| Heavy Atoms | 113 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1769.50 |
| LogP ≤ 5 | 23.96 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 14 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'} |
|---|
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Sources
- PubChem CID 161480012 — identifiers, structure, computed properties (public domain)
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