chloroplatinum(1+);2-(2,4-difluorobenzene-6-id-1-yl)pyridine;diphenyl(pyridin-2-yl)phosphanium

C28H21ClF2N2PPt+ — CID 164576028

About chloroplatinum(1+);2-(2,4-difluorobenzene-6-id-1-yl)pyridine;diphenyl(pyridin-2-yl)phosphanium

chloroplatinum(1+);2-(2,4-difluorobenzene-6-id-1-yl)pyridine;diphenyl(pyridin-2-yl)phosphanium (PubChem CID 164576028) has the molecular formula C28H21ClF2N2PPt+ and a molecular weight of 684.99 g/mol. Its IUPAC name is chloroplatinum(1+);2-(2,4-difluorobenzene-6-id-1-yl)pyridine;diphenyl(pyridin-2-yl)phosphanium.

Molecular Properties

• Compound Name: chloroplatinum(1+);2-(2,4-difluorobenzene-6-id-1-yl)pyridine;diphenyl(pyridin-2-yl)phosphanium
• PubChem CID: 164576028
• Molecular Formula: C28H21ClF2N2PPt+
• Molecular Weight: 684.99 g/mol
• Exact Mass: 684.07
• IUPAC Name: chloroplatinum(1+);2-(2,4-difluorobenzene-6-id-1-yl)pyridine;diphenyl(pyridin-2-yl)phosphanium
• SMILES: Cl[Pt+].Fc1c[c-]c(-c2ccccn2)c(F)c1.c1ccc([PH+](c2ccccc2)c2ccccn2)cc1
• InChI: InChI=1S/C17H14NP.C11H6F2N.ClH.Pt/c1-3-9-15(10-4-1)19(16-11-5-2-6-12-16)17-13-7-8-14-18-17;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;;/h1-14H;1-4,6-7H;1H;/q;-1;;+2
• InChIKey: VXOOJOWCBWVYBP-UHFFFAOYSA-N
• XLogP: 6.09
• TPSA: 25.78 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	684.99
LogP ≤ 5	6.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of chloroplatinum(1+);2-(2,4-difluorobenzene-6-id-1-yl)pyridine;diphenyl(pyridin-2-yl)phosphanium?

The IUPAC name of chloroplatinum(1+);2-(2,4-difluorobenzene-6-id-1-yl)pyridine;diphenyl(pyridin-2-yl)phosphanium (CID 164576028) is chloroplatinum(1+);2-(2,4-difluorobenzene-6-id-1-yl)pyridine;diphenyl(pyridin-2-yl)phosphanium.

What is the SMILES notation for chloroplatinum(1+);2-(2,4-difluorobenzene-6-id-1-yl)pyridine;diphenyl(pyridin-2-yl)phosphanium?

The canonical SMILES for chloroplatinum(1+);2-(2,4-difluorobenzene-6-id-1-yl)pyridine;diphenyl(pyridin-2-yl)phosphanium is Cl[Pt+].Fc1c[c-]c(-c2ccccn2)c(F)c1.c1ccc([PH+](c2ccccc2)c2ccccn2)cc1.

What is the InChIKey of chloroplatinum(1+);2-(2,4-difluorobenzene-6-id-1-yl)pyridine;diphenyl(pyridin-2-yl)phosphanium?

The InChIKey is VXOOJOWCBWVYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14NP.C11H6F2N.ClH.Pt/c1-3-9-15(10-4-1)19(16-11-5-2-6-12-16)17-13-7-8-14-18-17;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;;/h1-14H;1-4,6-7H;1H;/q;-1;;+2.

What are the key properties of chloroplatinum(1+);2-(2,4-difluorobenzene-6-id-1-yl)pyridine;diphenyl(pyridin-2-yl)phosphanium?

chloroplatinum(1+);2-(2,4-difluorobenzene-6-id-1-yl)pyridine;diphenyl(pyridin-2-yl)phosphanium has a molecular weight of 684.99 g/mol, XLogP of 6.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for chloroplatinum(1+);2-(2,4-difluorobenzene-6-id-1-yl)pyridine;diphenyl(pyridin-2-yl)phosphanium is sourced from PubChem (CID 164576028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).