bis(cobalt(2+));bis(2,6-dipyridin-2-ylpyridine);2-(3-pyridin-2-ylpyrazol-1-id-5-yl)pyridine;chloride;dihexafluorophosphate

C43H31ClCo2F12N10P2 — CID 139122707

About bis(cobalt(2+));bis(2,6-dipyridin-2-ylpyridine);2-(3-pyridin-2-ylpyrazol-1-id-5-yl)pyridine;chloride;dihexafluorophosphate

bis(cobalt(2+));bis(2,6-dipyridin-2-ylpyridine);2-(3-pyridin-2-ylpyrazol-1-id-5-yl)pyridine;chloride;dihexafluorophosphate (PubChem CID 139122707) has the molecular formula C43H31ClCo2F12N10P2 and a molecular weight of 1131.03 g/mol. Its IUPAC name is bis(cobalt(2+));bis(2,6-dipyridin-2-ylpyridine);2-(3-pyridin-2-ylpyrazol-1-id-5-yl)pyridine;chloride;dihexafluorophosphate.

Molecular Properties

• Compound Name: bis(cobalt(2+));bis(2,6-dipyridin-2-ylpyridine);2-(3-pyridin-2-ylpyrazol-1-id-5-yl)pyridine;chloride;dihexafluorophosphate
• PubChem CID: 139122707
• Molecular Formula: C43H31ClCo2F12N10P2
• Molecular Weight: 1131.03 g/mol
• Exact Mass: 1130.04
• IUPAC Name: bis(cobalt(2+));bis(2,6-dipyridin-2-ylpyridine);2-(3-pyridin-2-ylpyrazol-1-id-5-yl)pyridine;chloride;dihexafluorophosphate
• SMILES: F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Cl-].[Co+2].[Co+2].c1ccc(-c2cc(-c3ccccn3)[n-]n2)nc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1
• InChI: InChI=1S/2C15H11N3.C13H9N4.ClH.2Co.2F6P/c2*1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;1-3-7-14-10(5-1)12-9-13(17-16-12)11-6-2-4-8-15-11;;;;2*1-7(2,3,4,5)6/h2*1-11H;1-9H;1H;;;;/q;;-1;;2*+2;2*-1/p-1
• InChIKey: VNJGBWCQMVWQGJ-UHFFFAOYSA-M
• XLogP: 12.34
• TPSA: 130.11 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1131.03
LogP ≤ 5	12.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(cobalt(2+));bis(2,6-dipyridin-2-ylpyridine);2-(3-pyridin-2-ylpyrazol-1-id-5-yl)pyridine;chloride;dihexafluorophosphate?

The IUPAC name of bis(cobalt(2+));bis(2,6-dipyridin-2-ylpyridine);2-(3-pyridin-2-ylpyrazol-1-id-5-yl)pyridine;chloride;dihexafluorophosphate (CID 139122707) is bis(cobalt(2+));bis(2,6-dipyridin-2-ylpyridine);2-(3-pyridin-2-ylpyrazol-1-id-5-yl)pyridine;chloride;dihexafluorophosphate.

What is the SMILES notation for bis(cobalt(2+));bis(2,6-dipyridin-2-ylpyridine);2-(3-pyridin-2-ylpyrazol-1-id-5-yl)pyridine;chloride;dihexafluorophosphate?

The canonical SMILES for bis(cobalt(2+));bis(2,6-dipyridin-2-ylpyridine);2-(3-pyridin-2-ylpyrazol-1-id-5-yl)pyridine;chloride;dihexafluorophosphate is F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Cl-].[Co+2].[Co+2].c1ccc(-c2cc(-c3ccccn3)[n-]n2)nc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1.

What is the InChIKey of bis(cobalt(2+));bis(2,6-dipyridin-2-ylpyridine);2-(3-pyridin-2-ylpyrazol-1-id-5-yl)pyridine;chloride;dihexafluorophosphate?

The InChIKey is VNJGBWCQMVWQGJ-UHFFFAOYSA-M. The full InChI is InChI=1S/2C15H11N3.C13H9N4.ClH.2Co.2F6P/c2*1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;1-3-7-14-10(5-1)12-9-13(17-16-12)11-6-2-4-8-15-11;;;;2*1-7(2,3,4,5)6/h2*1-11H;1-9H;1H;;;;/q;;-1;;2*+2;2*-1/p-1.

What are the key properties of bis(cobalt(2+));bis(2,6-dipyridin-2-ylpyridine);2-(3-pyridin-2-ylpyrazol-1-id-5-yl)pyridine;chloride;dihexafluorophosphate?

bis(cobalt(2+));bis(2,6-dipyridin-2-ylpyridine);2-(3-pyridin-2-ylpyrazol-1-id-5-yl)pyridine;chloride;dihexafluorophosphate has a molecular weight of 1131.03 g/mol, XLogP of 12.34, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for bis(cobalt(2+));bis(2,6-dipyridin-2-ylpyridine);2-(3-pyridin-2-ylpyrazol-1-id-5-yl)pyridine;chloride;dihexafluorophosphate is sourced from PubChem (CID 139122707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).