2-[2,4-difluoro-5-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]-3-(trifluoromethyl)benzene-6-id-1-yl]pyridine;platinum(2+)

C26H17F5N2Pt — CID 58004343

About 2-[2,4-difluoro-5-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]-3-(trifluoromethyl)benzene-6-id-1-yl]pyridine;platinum(2+)

2-[2,4-difluoro-5-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]-3-(trifluoromethyl)benzene-6-id-1-yl]pyridine;platinum(2+) (PubChem CID 58004343) has the molecular formula C26H17F5N2Pt and a molecular weight of 647.50 g/mol. Its IUPAC name is 2-[2,4-difluoro-5-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]-3-(trifluoromethyl)benzene-6-id-1-yl]pyridine;platinum(2+).

Molecular Properties

• Compound Name: 2-[2,4-difluoro-5-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]-3-(trifluoromethyl)benzene-6-id-1-yl]pyridine;platinum(2+)
• PubChem CID: 58004343
• Molecular Formula: C26H17F5N2Pt
• Molecular Weight: 647.50 g/mol
• Exact Mass: 647.10
• IUPAC Name: 2-[2,4-difluoro-5-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]-3-(trifluoromethyl)benzene-6-id-1-yl]pyridine;platinum(2+)
• SMILES: CC(C)(c1[c-]c(-c2[c-]c(-c3ccccn3)c(F)c(C(F)(F)F)c2F)ccc1)c1ccccn1.[Pt+2]
• InChI: InChI=1S/C26H17F5N2.Pt/c1-25(2,21-11-4-6-13-33-21)17-9-7-8-16(14-17)18-15-19(20-10-3-5-12-32-20)24(28)22(23(18)27)26(29,30)31;/h3-13H,1-2H3;/q-2;+2
• InChIKey: JSDDZXNCWVYOPZ-UHFFFAOYSA-N
• XLogP: 7.03
• TPSA: 25.78 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	647.50
LogP ≤ 5	7.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2,4-difluoro-5-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]-3-(trifluoromethyl)benzene-6-id-1-yl]pyridine;platinum(2+)?

The IUPAC name of 2-[2,4-difluoro-5-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]-3-(trifluoromethyl)benzene-6-id-1-yl]pyridine;platinum(2+) (CID 58004343) is 2-[2,4-difluoro-5-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]-3-(trifluoromethyl)benzene-6-id-1-yl]pyridine;platinum(2+).

What is the SMILES notation for 2-[2,4-difluoro-5-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]-3-(trifluoromethyl)benzene-6-id-1-yl]pyridine;platinum(2+)?

The canonical SMILES for 2-[2,4-difluoro-5-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]-3-(trifluoromethyl)benzene-6-id-1-yl]pyridine;platinum(2+) is CC(C)(c1[c-]c(-c2[c-]c(-c3ccccn3)c(F)c(C(F)(F)F)c2F)ccc1)c1ccccn1.[Pt+2].

What is the InChIKey of 2-[2,4-difluoro-5-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]-3-(trifluoromethyl)benzene-6-id-1-yl]pyridine;platinum(2+)?

The InChIKey is JSDDZXNCWVYOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17F5N2.Pt/c1-25(2,21-11-4-6-13-33-21)17-9-7-8-16(14-17)18-15-19(20-10-3-5-12-32-20)24(28)22(23(18)27)26(29,30)31;/h3-13H,1-2H3;/q-2;+2.

What are the key properties of 2-[2,4-difluoro-5-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]-3-(trifluoromethyl)benzene-6-id-1-yl]pyridine;platinum(2+)?

2-[2,4-difluoro-5-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]-3-(trifluoromethyl)benzene-6-id-1-yl]pyridine;platinum(2+) has a molecular weight of 647.50 g/mol, XLogP of 7.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2,4-difluoro-5-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]-3-(trifluoromethyl)benzene-6-id-1-yl]pyridine;platinum(2+) is sourced from PubChem (CID 58004343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).