3,5-dimethylpyrazol-1-ide;bis(platinum(2+));propan-2-one;bis(2-pyridin-2-yl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);hexafluorophosphate;hydrate

C36H31F12N10O2PPt2 — CID 139131683

About 3,5-dimethylpyrazol-1-ide;bis(platinum(2+));propan-2-one;bis(2-pyridin-2-yl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);hexafluorophosphate;hydrate

3,5-dimethylpyrazol-1-ide;bis(platinum(2+));propan-2-one;bis(2-pyridin-2-yl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);hexafluorophosphate;hydrate (PubChem CID 139131683) has the molecular formula C36H31F12N10O2PPt2 and a molecular weight of 1284.82 g/mol. Its IUPAC name is 3,5-dimethylpyrazol-1-ide;bis(platinum(2+));propan-2-one;bis(2-pyridin-2-yl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);hexafluorophosphate;hydrate.

Molecular Properties

• Compound Name: 3,5-dimethylpyrazol-1-ide;bis(platinum(2+));propan-2-one;bis(2-pyridin-2-yl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);hexafluorophosphate;hydrate
• PubChem CID: 139131683
• Molecular Formula: C36H31F12N10O2PPt2
• Molecular Weight: 1284.82 g/mol
• Exact Mass: 1284.15
• IUPAC Name: 3,5-dimethylpyrazol-1-ide;bis(platinum(2+));propan-2-one;bis(2-pyridin-2-yl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);hexafluorophosphate;hydrate
• SMILES: CC(C)=O.Cc1cc(C)[n-]n1.FC(F)(F)c1cc(-c2cccc(-c3ccccn3)n2)[n-]n1.FC(F)(F)c1cc(-c2cccc(-c3ccccn3)n2)[n-]n1.F[P-](F)(F)(F)(F)F.O.[Pt+2].[Pt+2]
• InChI: InChI=1S/2C14H8F3N4.C5H7N2.C3H6O.F6P.H2O.2Pt/c2*15-14(16,17)13-8-12(20-21-13)11-6-3-5-10(19-11)9-4-1-2-7-18-9;1-4-3-5(2)7-6-4;1-3(2)4;1-7(2,3,4,5)6;;;/h2*1-8H;3H,1-2H3;1-2H3;;1H2;;/q3*-1;;-1;;2*+2
• InChIKey: VXRASYKNNOTPDA-UHFFFAOYSA-N
• XLogP: 10.17
• TPSA: 181.10 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1284.82
LogP ≤ 5	10.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethylpyrazol-1-ide;bis(platinum(2+));propan-2-one;bis(2-pyridin-2-yl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);hexafluorophosphate;hydrate?

The IUPAC name of 3,5-dimethylpyrazol-1-ide;bis(platinum(2+));propan-2-one;bis(2-pyridin-2-yl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);hexafluorophosphate;hydrate (CID 139131683) is 3,5-dimethylpyrazol-1-ide;bis(platinum(2+));propan-2-one;bis(2-pyridin-2-yl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);hexafluorophosphate;hydrate.

What is the SMILES notation for 3,5-dimethylpyrazol-1-ide;bis(platinum(2+));propan-2-one;bis(2-pyridin-2-yl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);hexafluorophosphate;hydrate?

The canonical SMILES for 3,5-dimethylpyrazol-1-ide;bis(platinum(2+));propan-2-one;bis(2-pyridin-2-yl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);hexafluorophosphate;hydrate is CC(C)=O.Cc1cc(C)[n-]n1.FC(F)(F)c1cc(-c2cccc(-c3ccccn3)n2)[n-]n1.FC(F)(F)c1cc(-c2cccc(-c3ccccn3)n2)[n-]n1.F[P-](F)(F)(F)(F)F.O.[Pt+2].[Pt+2].

What is the InChIKey of 3,5-dimethylpyrazol-1-ide;bis(platinum(2+));propan-2-one;bis(2-pyridin-2-yl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);hexafluorophosphate;hydrate?

The InChIKey is VXRASYKNNOTPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H8F3N4.C5H7N2.C3H6O.F6P.H2O.2Pt/c2*15-14(16,17)13-8-12(20-21-13)11-6-3-5-10(19-11)9-4-1-2-7-18-9;1-4-3-5(2)7-6-4;1-3(2)4;1-7(2,3,4,5)6;;;/h2*1-8H;3H,1-2H3;1-2H3;;1H2;;/q3*-1;;-1;;2*+2.

What are the key properties of 3,5-dimethylpyrazol-1-ide;bis(platinum(2+));propan-2-one;bis(2-pyridin-2-yl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);hexafluorophosphate;hydrate?

3,5-dimethylpyrazol-1-ide;bis(platinum(2+));propan-2-one;bis(2-pyridin-2-yl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);hexafluorophosphate;hydrate has a molecular weight of 1284.82 g/mol, XLogP of 10.17, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-dimethylpyrazol-1-ide;bis(platinum(2+));propan-2-one;bis(2-pyridin-2-yl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);hexafluorophosphate;hydrate is sourced from PubChem (CID 139131683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).