copper;bis(propan-2-one);tetrakis(pyridine);dihexafluorophosphate

C26H32CuF12N4O2P2 — CID 139159655

IUPACcopper;bis(propan-2-one);tetrakis(pyridine);dihexafluorophosphate
SMILESCC(C)=O.CC(C)=O.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Cu+2].c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1
InChIInChI=1S/4C5H5N.2C3H6O.Cu.2F6P/c4*1-2-4-6-5-3-1;2*1-3(2)4;;2*1-7(2,3,4,5)6/h4*1-5H;2*1-2H3;;;/q;;;;;;+2;2*-1
InChIKeyIXECVTPQFKUTHI-UHFFFAOYSA-N
MW786.04 g/mol
LogP12.28
Rot. Bonds

About copper;bis(propan-2-one);tetrakis(pyridine);dihexafluorophosphate

copper;bis(propan-2-one);tetrakis(pyridine);dihexafluorophosphate (PubChem CID 139159655) has the molecular formula C26H32CuF12N4O2P2 and a molecular weight of 786.04 g/mol. Its IUPAC name is copper;bis(propan-2-one);tetrakis(pyridine);dihexafluorophosphate.

Molecular Properties

Compound Namecopper;bis(propan-2-one);tetrakis(pyridine);dihexafluorophosphate
PubChem CID139159655
Molecular FormulaC26H32CuF12N4O2P2
Molecular Weight786.04 g/mol
Exact Mass785.11
IUPAC Namecopper;bis(propan-2-one);tetrakis(pyridine);dihexafluorophosphate
SMILESCC(C)=O.CC(C)=O.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Cu+2].c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1
InChIInChI=1S/4C5H5N.2C3H6O.Cu.2F6P/c4*1-2-4-6-5-3-1;2*1-3(2)4;;2*1-7(2,3,4,5)6/h4*1-5H;2*1-2H3;;;/q;;;;;;+2;2*-1
InChIKeyIXECVTPQFKUTHI-UHFFFAOYSA-N
XLogP12.28
TPSA85.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500786.04
LogP ≤ 512.28
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

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acetyl acetate;ethane;pyridine
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CID 160671535
azane;carbonic acid;2-methylpropane;pyridine
CID 174640229
alumanyl acetate;methane;pyridine
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CID 174943555
CID 174943555
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Frequently Asked Questions

What is the IUPAC name of copper;bis(propan-2-one);tetrakis(pyridine);dihexafluorophosphate?
The IUPAC name of copper;bis(propan-2-one);tetrakis(pyridine);dihexafluorophosphate (CID 139159655) is copper;bis(propan-2-one);tetrakis(pyridine);dihexafluorophosphate.
What is the SMILES notation for copper;bis(propan-2-one);tetrakis(pyridine);dihexafluorophosphate?
The canonical SMILES for copper;bis(propan-2-one);tetrakis(pyridine);dihexafluorophosphate is CC(C)=O.CC(C)=O.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Cu+2].c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.
What is the InChIKey of copper;bis(propan-2-one);tetrakis(pyridine);dihexafluorophosphate?
The InChIKey is IXECVTPQFKUTHI-UHFFFAOYSA-N. The full InChI is InChI=1S/4C5H5N.2C3H6O.Cu.2F6P/c4*1-2-4-6-5-3-1;2*1-3(2)4;;2*1-7(2,3,4,5)6/h4*1-5H;2*1-2H3;;;/q;;;;;;+2;2*-1.
What are the key properties of copper;bis(propan-2-one);tetrakis(pyridine);dihexafluorophosphate?
copper;bis(propan-2-one);tetrakis(pyridine);dihexafluorophosphate has a molecular weight of 786.04 g/mol, XLogP of 12.28, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for copper;bis(propan-2-one);tetrakis(pyridine);dihexafluorophosphate is sourced from PubChem (CID 139159655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).