copper;bis(hexafluoroarsenic(1-));hexakis(1H-pyrazole)

C18H24As2CuF12N12 — CID 139058485

IUPACcopper;bis(hexafluoroarsenic(1-));hexakis(1H-pyrazole)
SMILESF[As-](F)(F)(F)(F)F.F[As-](F)(F)(F)(F)F.[Cu+2].c1cn[nH]c1.c1cn[nH]c1.c1cn[nH]c1.c1cn[nH]c1.c1cn[nH]c1.c1cn[nH]c1
InChIInChI=1S/6C3H4N2.2AsF6.Cu/c6*1-2-4-5-3-1;2*2-1(3,4,5,6)7;/h6*1-3H,(H,4,5);;;/q;;;;;;2*-1;+2
InChIKeyKXNWQSWLQIDMEO-UHFFFAOYSA-N
MW849.84 g/mol
LogP6.74
Rot. Bonds

About copper;bis(hexafluoroarsenic(1-));hexakis(1H-pyrazole)

copper;bis(hexafluoroarsenic(1-));hexakis(1H-pyrazole) (PubChem CID 139058485) has the molecular formula C18H24As2CuF12N12 and a molecular weight of 849.84 g/mol. Its IUPAC name is copper;bis(hexafluoroarsenic(1-));hexakis(1H-pyrazole).

Molecular Properties

Compound Namecopper;bis(hexafluoroarsenic(1-));hexakis(1H-pyrazole)
PubChem CID139058485
Molecular FormulaC18H24As2CuF12N12
Molecular Weight849.84 g/mol
Exact Mass848.98
IUPAC Namecopper;bis(hexafluoroarsenic(1-));hexakis(1H-pyrazole)
SMILESF[As-](F)(F)(F)(F)F.F[As-](F)(F)(F)(F)F.[Cu+2].c1cn[nH]c1.c1cn[nH]c1.c1cn[nH]c1.c1cn[nH]c1.c1cn[nH]c1.c1cn[nH]c1
InChIInChI=1S/6C3H4N2.2AsF6.Cu/c6*1-2-4-5-3-1;2*2-1(3,4,5,6)7;/h6*1-3H,(H,4,5);;;/q;;;;;;2*-1;+2
InChIKeyKXNWQSWLQIDMEO-UHFFFAOYSA-N
XLogP6.74
TPSA172.08 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms45
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500849.84
LogP ≤ 56.74
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of copper;bis(hexafluoroarsenic(1-));hexakis(1H-pyrazole)?
The IUPAC name of copper;bis(hexafluoroarsenic(1-));hexakis(1H-pyrazole) (CID 139058485) is copper;bis(hexafluoroarsenic(1-));hexakis(1H-pyrazole).
What is the SMILES notation for copper;bis(hexafluoroarsenic(1-));hexakis(1H-pyrazole)?
The canonical SMILES for copper;bis(hexafluoroarsenic(1-));hexakis(1H-pyrazole) is F[As-](F)(F)(F)(F)F.F[As-](F)(F)(F)(F)F.[Cu+2].c1cn[nH]c1.c1cn[nH]c1.c1cn[nH]c1.c1cn[nH]c1.c1cn[nH]c1.c1cn[nH]c1.
What is the InChIKey of copper;bis(hexafluoroarsenic(1-));hexakis(1H-pyrazole)?
The InChIKey is KXNWQSWLQIDMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/6C3H4N2.2AsF6.Cu/c6*1-2-4-5-3-1;2*2-1(3,4,5,6)7;/h6*1-3H,(H,4,5);;;/q;;;;;;2*-1;+2.
What are the key properties of copper;bis(hexafluoroarsenic(1-));hexakis(1H-pyrazole)?
copper;bis(hexafluoroarsenic(1-));hexakis(1H-pyrazole) has a molecular weight of 849.84 g/mol, XLogP of 6.74, 0 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for copper;bis(hexafluoroarsenic(1-));hexakis(1H-pyrazole) is sourced from PubChem (CID 139058485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).