pentakis(acetonitrile);bis(copper(1+));2-diphenylphosphanylethyl(diphenyl)phosphane;perchlorate

C36H39ClCu2N5O4P2+ — CID 10395690

IUPACpentakis(acetonitrile);bis(copper(1+));2-diphenylphosphanylethyl(diphenyl)phosphane;perchlorate
SMILESCC#N.CC#N.CC#N.CC#N.CC#N.[Cu+].[Cu+].[O-][Cl+3]([O-])([O-])[O-].c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H24P2.5C2H3N.ClHO4.2Cu/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;5*1-2-3;2-1(3,4)5;;/h1-20H,21-22H2;5*1H3;(H,2,3,4,5);;/q;;;;;;;2*+1/p-1
InChIKeyURKQADIZRUPWCZ-UHFFFAOYSA-M
MW830.23 g/mol
LogP3.14
Rot. Bonds7

About pentakis(acetonitrile);bis(copper(1+));2-diphenylphosphanylethyl(diphenyl)phosphane;perchlorate

pentakis(acetonitrile);bis(copper(1+));2-diphenylphosphanylethyl(diphenyl)phosphane;perchlorate (PubChem CID 10395690) has the molecular formula C36H39ClCu2N5O4P2+ and a molecular weight of 830.23 g/mol. Its IUPAC name is pentakis(acetonitrile);bis(copper(1+));2-diphenylphosphanylethyl(diphenyl)phosphane;perchlorate.

Molecular Properties

Compound Namepentakis(acetonitrile);bis(copper(1+));2-diphenylphosphanylethyl(diphenyl)phosphane;perchlorate
PubChem CID10395690
Molecular FormulaC36H39ClCu2N5O4P2+
Molecular Weight830.23 g/mol
Exact Mass828.08
IUPAC Namepentakis(acetonitrile);bis(copper(1+));2-diphenylphosphanylethyl(diphenyl)phosphane;perchlorate
SMILESCC#N.CC#N.CC#N.CC#N.CC#N.[Cu+].[Cu+].[O-][Cl+3]([O-])([O-])[O-].c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H24P2.5C2H3N.ClHO4.2Cu/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;5*1-2-3;2-1(3,4)5;;/h1-20H,21-22H2;5*1H3;(H,2,3,4,5);;/q;;;;;;;2*+1/p-1
InChIKeyURKQADIZRUPWCZ-UHFFFAOYSA-M
XLogP3.14
TPSA211.19 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms50
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500830.23
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

bis(acetonitrile);bis(copper(1+));bis(2-diphenylphosphanylethyl(diphenyl)phosphane);perchlorate
CID 10441227
bis(acetonitrile);bis(copper(1+));tris(2-diphenylphosphanylethyl(diphenyl)phosphane);diperchlorate
CID 11982236
copper;2-diphenylphosphanylethyl(diphenyl)phosphane
CID 172691884
bis(2-diphenylphosphanylethyl(diphenyl)phosphane);gold(1+);bromide
CID 173374421
2-diphenylphosphanylethyl(diphenyl)phosphane;platinum;prop-2-enenitrile
CID 11828411
2-diphenylphosphanylethyl(diphenyl)phosphane;iodopalladium(1+);methylbenzene
CID 15351395
2-diphenylphosphanylethyl(diphenyl)phosphane;bis(gold(1+));bis(triphenylphosphane);dichloride
CID 11981349
bis(acetonitrile);2-methylsulfanylethyl(diphenyl)phosphane;palladium(2+);ditetrafluoroborate
CID 11308073
chloronickel;2-diphenylphosphanylethyl(diphenyl)phosphane
CID 12000429
bromogold;bis(2-diphenylphosphanylethyl(diphenyl)phosphane)
CID 15017629
bis(acetonitrile);3-diphenylphosphanylpropyl(diphenyl)phosphane;palladium(2+);bis(tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide)
CID 11982150
(5Z)-cycloocta-1,5-diene;3-diphenylphosphanylpropyl(diphenyl)phosphane;rhodium(3+);triperchlorate
CID 173344894

Frequently Asked Questions

What is the IUPAC name of pentakis(acetonitrile);bis(copper(1+));2-diphenylphosphanylethyl(diphenyl)phosphane;perchlorate?
The IUPAC name of pentakis(acetonitrile);bis(copper(1+));2-diphenylphosphanylethyl(diphenyl)phosphane;perchlorate (CID 10395690) is pentakis(acetonitrile);bis(copper(1+));2-diphenylphosphanylethyl(diphenyl)phosphane;perchlorate.
What is the SMILES notation for pentakis(acetonitrile);bis(copper(1+));2-diphenylphosphanylethyl(diphenyl)phosphane;perchlorate?
The canonical SMILES for pentakis(acetonitrile);bis(copper(1+));2-diphenylphosphanylethyl(diphenyl)phosphane;perchlorate is CC#N.CC#N.CC#N.CC#N.CC#N.[Cu+].[Cu+].[O-][Cl+3]([O-])([O-])[O-].c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of pentakis(acetonitrile);bis(copper(1+));2-diphenylphosphanylethyl(diphenyl)phosphane;perchlorate?
The InChIKey is URKQADIZRUPWCZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C26H24P2.5C2H3N.ClHO4.2Cu/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;5*1-2-3;2-1(3,4)5;;/h1-20H,21-22H2;5*1H3;(H,2,3,4,5);;/q;;;;;;;2*+1/p-1.
What are the key properties of pentakis(acetonitrile);bis(copper(1+));2-diphenylphosphanylethyl(diphenyl)phosphane;perchlorate?
pentakis(acetonitrile);bis(copper(1+));2-diphenylphosphanylethyl(diphenyl)phosphane;perchlorate has a molecular weight of 830.23 g/mol, XLogP of 3.14, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for pentakis(acetonitrile);bis(copper(1+));2-diphenylphosphanylethyl(diphenyl)phosphane;perchlorate is sourced from PubChem (CID 10395690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).