dicopper;bis(2-(3-pyridin-2-ylpyrazol-1-id-5-yl)pyridine);dihexafluorophosphate

C26H18Cu2F12N8P2 — CID 139085858

IUPACdicopper;bis(2-(3-pyridin-2-ylpyrazol-1-id-5-yl)pyridine);dihexafluorophosphate
SMILESF[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Cu+2].[Cu+2].c1ccc(-c2cc(-c3ccccn3)[n-]n2)nc1.c1ccc(-c2cc(-c3ccccn3)[n-]n2)nc1
InChIInChI=1S/2C13H9N4.2Cu.2F6P/c2*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*1-9H;;;;/q2*-1;2*+2;2*-1
InChIKeyREFHLXCWMYXERJ-UHFFFAOYSA-N
MW859.50 g/mol
LogP11.09
Rot. Bonds4

About dicopper;bis(2-(3-pyridin-2-ylpyrazol-1-id-5-yl)pyridine);dihexafluorophosphate

dicopper;bis(2-(3-pyridin-2-ylpyrazol-1-id-5-yl)pyridine);dihexafluorophosphate (PubChem CID 139085858) has the molecular formula C26H18Cu2F12N8P2 and a molecular weight of 859.50 g/mol. Its IUPAC name is dicopper;bis(2-(3-pyridin-2-ylpyrazol-1-id-5-yl)pyridine);dihexafluorophosphate.

Molecular Properties

Compound Namedicopper;bis(2-(3-pyridin-2-ylpyrazol-1-id-5-yl)pyridine);dihexafluorophosphate
PubChem CID139085858
Molecular FormulaC26H18Cu2F12N8P2
Molecular Weight859.50 g/mol
Exact Mass857.95
IUPAC Namedicopper;bis(2-(3-pyridin-2-ylpyrazol-1-id-5-yl)pyridine);dihexafluorophosphate
SMILESF[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Cu+2].[Cu+2].c1ccc(-c2cc(-c3ccccn3)[n-]n2)nc1.c1ccc(-c2cc(-c3ccccn3)[n-]n2)nc1
InChIInChI=1S/2C13H9N4.2Cu.2F6P/c2*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*1-9H;;;;/q2*-1;2*+2;2*-1
InChIKeyREFHLXCWMYXERJ-UHFFFAOYSA-N
XLogP11.09
TPSA105.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500859.50
LogP ≤ 511.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Platinum(2+);pyrazol-1-ide;2-pyridin-2-yl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 139131682
3,5-Dimethylpyrazol-1-ide;bis(platinum(2+));propan-2-one;bis(2-pyridin-2-yl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);hexafluorophosphate;hydrate
CID 139131683
3,5-Bis(trifluoromethyl)pyrazol-1-ide;platinum(2+);2-pyridin-2-yl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 139131685
Bis(2-[5-(1,1,2,2,3,3,3-heptafluoropropyl)pyrazol-1-id-3-yl]pyridine);platinum(2+)
CID 139138252
Bis(platinum(2+));propan-2-one;bis(pyrazol-1-ide);bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
CID 139141460
Dicopper;acetonitrile;2,6-bis[5-(trifluoromethyl)pyrazol-1-id-3-yl]pyridine;bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
CID 139160035
Osmium(2+);1-[2-(phospholan-1-ium-1-yl)phenyl]phospholan-1-ium;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-[5-(trifluoromethyl)pyrazol-1-id-3-yl]pyridine
CID 168354058
Tetrakis(bis(pyridin-2-ylmethyl)azanide);bis(iron(2+))
CID 139115232
Methyl(diphenyl)phosphanium;methylphosphane;osmium(2+);bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
CID 57604186
Bis(3,5-dimethylpyrazol-1-ide);bis(platinum(2+));bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
CID 57772371
Bis(3,5-dimethylpyrazol-1-ide);2-(5-methylpyrazol-2-id-3-yl)pyridine;bis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 57772374
Bis(platinum(2+));bis(pyrazol-1-ide);bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
CID 57772377

Frequently Asked Questions

What is the IUPAC name of dicopper;bis(2-(3-pyridin-2-ylpyrazol-1-id-5-yl)pyridine);dihexafluorophosphate?
The IUPAC name of dicopper;bis(2-(3-pyridin-2-ylpyrazol-1-id-5-yl)pyridine);dihexafluorophosphate (CID 139085858) is dicopper;bis(2-(3-pyridin-2-ylpyrazol-1-id-5-yl)pyridine);dihexafluorophosphate.
What is the SMILES notation for dicopper;bis(2-(3-pyridin-2-ylpyrazol-1-id-5-yl)pyridine);dihexafluorophosphate?
The canonical SMILES for dicopper;bis(2-(3-pyridin-2-ylpyrazol-1-id-5-yl)pyridine);dihexafluorophosphate is F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Cu+2].[Cu+2].c1ccc(-c2cc(-c3ccccn3)[n-]n2)nc1.c1ccc(-c2cc(-c3ccccn3)[n-]n2)nc1.
What is the InChIKey of dicopper;bis(2-(3-pyridin-2-ylpyrazol-1-id-5-yl)pyridine);dihexafluorophosphate?
The InChIKey is REFHLXCWMYXERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H9N4.2Cu.2F6P/c2*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*1-9H;;;;/q2*-1;2*+2;2*-1.
What are the key properties of dicopper;bis(2-(3-pyridin-2-ylpyrazol-1-id-5-yl)pyridine);dihexafluorophosphate?
dicopper;bis(2-(3-pyridin-2-ylpyrazol-1-id-5-yl)pyridine);dihexafluorophosphate has a molecular weight of 859.50 g/mol, XLogP of 11.09, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dicopper;bis(2-(3-pyridin-2-ylpyrazol-1-id-5-yl)pyridine);dihexafluorophosphate is sourced from PubChem (CID 139085858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).