2-[2-methyl-4-(trifluoromethyl)benzene-6-id-1-yl]-6-[2-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum(2+)

C25H18F6N4Pt — CID 58661098

About 2-[2-methyl-4-(trifluoromethyl)benzene-6-id-1-yl]-6-[2-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum(2+)

2-[2-methyl-4-(trifluoromethyl)benzene-6-id-1-yl]-6-[2-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum(2+) (PubChem CID 58661098) has the molecular formula C25H18F6N4Pt and a molecular weight of 683.51 g/mol. Its IUPAC name is 2-[2-methyl-4-(trifluoromethyl)benzene-6-id-1-yl]-6-[2-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum(2+).

Molecular Properties

• Compound Name: 2-[2-methyl-4-(trifluoromethyl)benzene-6-id-1-yl]-6-[2-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum(2+)
• PubChem CID: 58661098
• Molecular Formula: C25H18F6N4Pt
• Molecular Weight: 683.51 g/mol
• Exact Mass: 683.11
• IUPAC Name: 2-[2-methyl-4-(trifluoromethyl)benzene-6-id-1-yl]-6-[2-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum(2+)
• SMILES: Cc1cc(C(F)(F)F)c[c-]c1-c1cccc(C(C)(C)c2cccc(-c3cc(C(F)(F)F)n[n-]3)n2)n1.[Pt+2]
• InChI: InChI=1S/C25H18F6N4.Pt/c1-14-12-15(24(26,27)28)10-11-16(14)17-6-4-8-20(32-17)23(2,3)21-9-5-7-18(33-21)19-13-22(35-34-19)25(29,30)31;/h4-10,12-13H,1-3H3;/q-2;+2
• InChIKey: AQBPSBYYOQQBPO-UHFFFAOYSA-N
• XLogP: 6.63
• TPSA: 52.77 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	683.51
LogP ≤ 5	6.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-4-(trifluoromethyl)benzene-6-id-1-yl]-6-[2-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum(2+)?

The IUPAC name of 2-[2-methyl-4-(trifluoromethyl)benzene-6-id-1-yl]-6-[2-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum(2+) (CID 58661098) is 2-[2-methyl-4-(trifluoromethyl)benzene-6-id-1-yl]-6-[2-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum(2+).

What is the SMILES notation for 2-[2-methyl-4-(trifluoromethyl)benzene-6-id-1-yl]-6-[2-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum(2+)?

The canonical SMILES for 2-[2-methyl-4-(trifluoromethyl)benzene-6-id-1-yl]-6-[2-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum(2+) is Cc1cc(C(F)(F)F)c[c-]c1-c1cccc(C(C)(C)c2cccc(-c3cc(C(F)(F)F)n[n-]3)n2)n1.[Pt+2].

What is the InChIKey of 2-[2-methyl-4-(trifluoromethyl)benzene-6-id-1-yl]-6-[2-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum(2+)?

The InChIKey is AQBPSBYYOQQBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F6N4.Pt/c1-14-12-15(24(26,27)28)10-11-16(14)17-6-4-8-20(32-17)23(2,3)21-9-5-7-18(33-21)19-13-22(35-34-19)25(29,30)31;/h4-10,12-13H,1-3H3;/q-2;+2.

What are the key properties of 2-[2-methyl-4-(trifluoromethyl)benzene-6-id-1-yl]-6-[2-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum(2+)?

2-[2-methyl-4-(trifluoromethyl)benzene-6-id-1-yl]-6-[2-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum(2+) has a molecular weight of 683.51 g/mol, XLogP of 6.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-methyl-4-(trifluoromethyl)benzene-6-id-1-yl]-6-[2-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum(2+) is sourced from PubChem (CID 58661098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).