copper;nitric acid;bis(triphenylphosphanium)

C36H33CuNO3P2+2 — CID 87857572

IUPACcopper;nitric acid;bis(triphenylphosphanium)
SMILESO=[N+]([O-])O.[Cu].c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C18H15P.Cu.HNO3/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;2-1(3)4/h2*1-15H;;(H,2,3,4)/p+2
InChIKeyKJTQPPYCPQWOIL-UHFFFAOYSA-P
MW653.16 g/mol
LogP6.00
Rot. Bonds6

About copper;nitric acid;bis(triphenylphosphanium)

copper;nitric acid;bis(triphenylphosphanium) (PubChem CID 87857572) has the molecular formula C36H33CuNO3P2+2 and a molecular weight of 653.16 g/mol. Its IUPAC name is copper;nitric acid;bis(triphenylphosphanium).

Molecular Properties

Compound Namecopper;nitric acid;bis(triphenylphosphanium)
PubChem CID87857572
Molecular FormulaC36H33CuNO3P2+2
Molecular Weight653.16 g/mol
Exact Mass652.12
IUPAC Namecopper;nitric acid;bis(triphenylphosphanium)
SMILESO=[N+]([O-])O.[Cu].c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C18H15P.Cu.HNO3/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;2-1(3)4/h2*1-15H;;(H,2,3,4)/p+2
InChIKeyKJTQPPYCPQWOIL-UHFFFAOYSA-P
XLogP6.00
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.16
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of copper;nitric acid;bis(triphenylphosphanium)?
The IUPAC name of copper;nitric acid;bis(triphenylphosphanium) (CID 87857572) is copper;nitric acid;bis(triphenylphosphanium).
What is the SMILES notation for copper;nitric acid;bis(triphenylphosphanium)?
The canonical SMILES for copper;nitric acid;bis(triphenylphosphanium) is O=[N+]([O-])O.[Cu].c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of copper;nitric acid;bis(triphenylphosphanium)?
The InChIKey is KJTQPPYCPQWOIL-UHFFFAOYSA-P. The full InChI is InChI=1S/2C18H15P.Cu.HNO3/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;2-1(3)4/h2*1-15H;;(H,2,3,4)/p+2.
What are the key properties of copper;nitric acid;bis(triphenylphosphanium)?
copper;nitric acid;bis(triphenylphosphanium) has a molecular weight of 653.16 g/mol, XLogP of 6.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for copper;nitric acid;bis(triphenylphosphanium) is sourced from PubChem (CID 87857572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).