cobalt(3+);tris(2-pyridin-2-ylpyridine);trihexafluorophosphate

C30H24CoF18N6P3 — CID 15443683

IUPACcobalt(3+);tris(2-pyridin-2-ylpyridine);trihexafluorophosphate
SMILESF[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Co+3].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/3C10H8N2.Co.3F6P/c3*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;3*1-7(2,3,4,5)6/h3*1-8H;;;;/q;;;+3;3*-1
InChIKeyCOCURPBAGSBJNL-UHFFFAOYSA-N
MW962.38 g/mol
LogP16.58
Rot. Bonds3

About cobalt(3+);tris(2-pyridin-2-ylpyridine);trihexafluorophosphate

cobalt(3+);tris(2-pyridin-2-ylpyridine);trihexafluorophosphate (PubChem CID 15443683) has the molecular formula C30H24CoF18N6P3 and a molecular weight of 962.38 g/mol. Its IUPAC name is cobalt(3+);tris(2-pyridin-2-ylpyridine);trihexafluorophosphate.

Molecular Properties

Compound Namecobalt(3+);tris(2-pyridin-2-ylpyridine);trihexafluorophosphate
PubChem CID15443683
Molecular FormulaC30H24CoF18N6P3
Molecular Weight962.38 g/mol
Exact Mass962.03
IUPAC Namecobalt(3+);tris(2-pyridin-2-ylpyridine);trihexafluorophosphate
SMILESF[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Co+3].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/3C10H8N2.Co.3F6P/c3*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;3*1-7(2,3,4,5)6/h3*1-8H;;;;/q;;;+3;3*-1
InChIKeyCOCURPBAGSBJNL-UHFFFAOYSA-N
XLogP16.58
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500962.38
LogP ≤ 516.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cobalt(3+);tris(2-pyridin-2-ylpyridine);trihexafluorophosphate?
The IUPAC name of cobalt(3+);tris(2-pyridin-2-ylpyridine);trihexafluorophosphate (CID 15443683) is cobalt(3+);tris(2-pyridin-2-ylpyridine);trihexafluorophosphate.
What is the SMILES notation for cobalt(3+);tris(2-pyridin-2-ylpyridine);trihexafluorophosphate?
The canonical SMILES for cobalt(3+);tris(2-pyridin-2-ylpyridine);trihexafluorophosphate is F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Co+3].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of cobalt(3+);tris(2-pyridin-2-ylpyridine);trihexafluorophosphate?
The InChIKey is COCURPBAGSBJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/3C10H8N2.Co.3F6P/c3*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;3*1-7(2,3,4,5)6/h3*1-8H;;;;/q;;;+3;3*-1.
What are the key properties of cobalt(3+);tris(2-pyridin-2-ylpyridine);trihexafluorophosphate?
cobalt(3+);tris(2-pyridin-2-ylpyridine);trihexafluorophosphate has a molecular weight of 962.38 g/mol, XLogP of 16.58, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(3+);tris(2-pyridin-2-ylpyridine);trihexafluorophosphate is sourced from PubChem (CID 15443683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).