3-[diphenyl-[1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]methyl]-1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole;platinum(2+)

C33H20F6N4Pt — CID 59816891

About 3-[diphenyl-[1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]methyl]-1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole;platinum(2+)

3-[diphenyl-[1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]methyl]-1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole;platinum(2+) (PubChem CID 59816891) has the molecular formula C33H20F6N4Pt and a molecular weight of 781.62 g/mol. Its IUPAC name is 3-[diphenyl-[1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]methyl]-1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole;platinum(2+).

Molecular Properties

• Compound Name: 3-[diphenyl-[1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]methyl]-1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole;platinum(2+)
• PubChem CID: 59816891
• Molecular Formula: C33H20F6N4Pt
• Molecular Weight: 781.62 g/mol
• Exact Mass: 781.12
• IUPAC Name: 3-[diphenyl-[1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]methyl]-1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole;platinum(2+)
• SMILES: FC(F)(F)c1c[c-]c(-n2ccc(C(c3ccccc3)(c3ccccc3)c3ccn(-c4[c-]cc(C(F)(F)F)cc4)n3)n2)cc1.[Pt+2]
• InChI: InChI=1S/C33H20F6N4.Pt/c34-32(35,36)25-11-15-27(16-12-25)42-21-19-29(40-42)31(23-7-3-1-4-8-23,24-9-5-2-6-10-24)30-20-22-43(41-30)28-17-13-26(14-18-28)33(37,38)39;/h1-15,17,19-22H;/q-2;+2
• InChIKey: LZNYGIDXJBNYGC-UHFFFAOYSA-N
• XLogP: 8.08
• TPSA: 35.64 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	781.62
LogP ≤ 5	8.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[diphenyl-[1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]methyl]-1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole;platinum(2+)?

The IUPAC name of 3-[diphenyl-[1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]methyl]-1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole;platinum(2+) (CID 59816891) is 3-[diphenyl-[1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]methyl]-1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole;platinum(2+).

What is the SMILES notation for 3-[diphenyl-[1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]methyl]-1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole;platinum(2+)?

The canonical SMILES for 3-[diphenyl-[1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]methyl]-1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole;platinum(2+) is FC(F)(F)c1c[c-]c(-n2ccc(C(c3ccccc3)(c3ccccc3)c3ccn(-c4[c-]cc(C(F)(F)F)cc4)n3)n2)cc1.[Pt+2].

What is the InChIKey of 3-[diphenyl-[1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]methyl]-1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole;platinum(2+)?

The InChIKey is LZNYGIDXJBNYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H20F6N4.Pt/c34-32(35,36)25-11-15-27(16-12-25)42-21-19-29(40-42)31(23-7-3-1-4-8-23,24-9-5-2-6-10-24)30-20-22-43(41-30)28-17-13-26(14-18-28)33(37,38)39;/h1-15,17,19-22H;/q-2;+2.

What are the key properties of 3-[diphenyl-[1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]methyl]-1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole;platinum(2+)?

3-[diphenyl-[1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]methyl]-1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole;platinum(2+) has a molecular weight of 781.62 g/mol, XLogP of 8.08, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[diphenyl-[1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]methyl]-1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole;platinum(2+) is sourced from PubChem (CID 59816891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).