2-[diphenyl-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]methyl]-6-(3-methyl-5H-pyrazol-5-id-1-yl)pyridine;platinum(2+)

C31H21F3N6Pt — CID 58444776

About 2-[diphenyl-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]methyl]-6-(3-methyl-5H-pyrazol-5-id-1-yl)pyridine;platinum(2+)

2-[diphenyl-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]methyl]-6-(3-methyl-5H-pyrazol-5-id-1-yl)pyridine;platinum(2+) (PubChem CID 58444776) has the molecular formula C31H21F3N6Pt and a molecular weight of 729.62 g/mol. Its IUPAC name is 2-[diphenyl-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]methyl]-6-(3-methyl-5H-pyrazol-5-id-1-yl)pyridine;platinum(2+).

Molecular Properties

• Compound Name: 2-[diphenyl-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]methyl]-6-(3-methyl-5H-pyrazol-5-id-1-yl)pyridine;platinum(2+)
• PubChem CID: 58444776
• Molecular Formula: C31H21F3N6Pt
• Molecular Weight: 729.62 g/mol
• Exact Mass: 729.14
• IUPAC Name: 2-[diphenyl-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]methyl]-6-(3-methyl-5H-pyrazol-5-id-1-yl)pyridine;platinum(2+)
• SMILES: Cc1c[c-]n(-c2cccc(C(c3ccccc3)(c3ccccc3)c3cccc(-n4[c-]cc(C(F)(F)F)n4)n3)n2)n1.[Pt+2]
• InChI: InChI=1S/C31H21F3N6.Pt/c1-22-18-20-39(37-22)28-16-8-14-25(35-28)30(23-10-4-2-5-11-23,24-12-6-3-7-13-24)26-15-9-17-29(36-26)40-21-19-27(38-40)31(32,33)34;/h2-19H,1H3;/q-2;+2
• InChIKey: WTYXHGVVUPWCEL-UHFFFAOYSA-N
• XLogP: 6.16
• TPSA: 61.42 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	729.62
LogP ≤ 5	6.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[diphenyl-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]methyl]-6-(3-methyl-5H-pyrazol-5-id-1-yl)pyridine;platinum(2+)?

The IUPAC name of 2-[diphenyl-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]methyl]-6-(3-methyl-5H-pyrazol-5-id-1-yl)pyridine;platinum(2+) (CID 58444776) is 2-[diphenyl-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]methyl]-6-(3-methyl-5H-pyrazol-5-id-1-yl)pyridine;platinum(2+).

What is the SMILES notation for 2-[diphenyl-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]methyl]-6-(3-methyl-5H-pyrazol-5-id-1-yl)pyridine;platinum(2+)?

The canonical SMILES for 2-[diphenyl-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]methyl]-6-(3-methyl-5H-pyrazol-5-id-1-yl)pyridine;platinum(2+) is Cc1c[c-]n(-c2cccc(C(c3ccccc3)(c3ccccc3)c3cccc(-n4[c-]cc(C(F)(F)F)n4)n3)n2)n1.[Pt+2].

What is the InChIKey of 2-[diphenyl-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]methyl]-6-(3-methyl-5H-pyrazol-5-id-1-yl)pyridine;platinum(2+)?

The InChIKey is WTYXHGVVUPWCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H21F3N6.Pt/c1-22-18-20-39(37-22)28-16-8-14-25(35-28)30(23-10-4-2-5-11-23,24-12-6-3-7-13-24)26-15-9-17-29(36-26)40-21-19-27(38-40)31(32,33)34;/h2-19H,1H3;/q-2;+2.

What are the key properties of 2-[diphenyl-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]methyl]-6-(3-methyl-5H-pyrazol-5-id-1-yl)pyridine;platinum(2+)?

2-[diphenyl-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]methyl]-6-(3-methyl-5H-pyrazol-5-id-1-yl)pyridine;platinum(2+) has a molecular weight of 729.62 g/mol, XLogP of 6.16, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[diphenyl-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]methyl]-6-(3-methyl-5H-pyrazol-5-id-1-yl)pyridine;platinum(2+) is sourced from PubChem (CID 58444776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).