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

C56H54ClCu2N2O4P4+ — CID 10441227

IUPACbis(acetonitrile);bis(copper(1+));bis(2-diphenylphosphanylethyl(diphenyl)phosphane);perchlorate
SMILESCC#N.CC#N.[Cu+].[Cu+].[O-][Cl+3]([O-])([O-])[O-].c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C26H24P2.2C2H3N.ClHO4.2Cu/c2*1-5-13-23(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;2*1-2-3;2-1(3,4)5;;/h2*1-20H,21-22H2;2*1H3;(H,2,3,4,5);;/q;;;;;2*+1/p-1
InChIKeyNEQYMQXSBCWQNW-UHFFFAOYSA-M
MW1105.50 g/mol
LogP6.80
Rot. Bonds14

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

bis(acetonitrile);bis(copper(1+));bis(2-diphenylphosphanylethyl(diphenyl)phosphane);perchlorate (PubChem CID 10441227) has the molecular formula C56H54ClCu2N2O4P4+ and a molecular weight of 1105.50 g/mol. Its IUPAC name is bis(acetonitrile);bis(copper(1+));bis(2-diphenylphosphanylethyl(diphenyl)phosphane);perchlorate.

Molecular Properties

Compound Namebis(acetonitrile);bis(copper(1+));bis(2-diphenylphosphanylethyl(diphenyl)phosphane);perchlorate
PubChem CID10441227
Molecular FormulaC56H54ClCu2N2O4P4+
Molecular Weight1105.50 g/mol
Exact Mass1103.13
IUPAC Namebis(acetonitrile);bis(copper(1+));bis(2-diphenylphosphanylethyl(diphenyl)phosphane);perchlorate
SMILESCC#N.CC#N.[Cu+].[Cu+].[O-][Cl+3]([O-])([O-])[O-].c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C26H24P2.2C2H3N.ClHO4.2Cu/c2*1-5-13-23(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;2*1-2-3;2-1(3,4)5;;/h2*1-20H,21-22H2;2*1H3;(H,2,3,4,5);;/q;;;;;2*+1/p-1
InChIKeyNEQYMQXSBCWQNW-UHFFFAOYSA-M
XLogP6.80
TPSA139.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001105.50
LogP ≤ 56.80
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

pentakis(acetonitrile);bis(copper(1+));2-diphenylphosphanylethyl(diphenyl)phosphane;perchlorate
CID 10395690
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CID 11982236
copper;2-diphenylphosphanylethyl(diphenyl)phosphane
CID 172691884
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CID 173374421
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CID 11828411
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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 bis(acetonitrile);bis(copper(1+));bis(2-diphenylphosphanylethyl(diphenyl)phosphane);perchlorate?
The IUPAC name of bis(acetonitrile);bis(copper(1+));bis(2-diphenylphosphanylethyl(diphenyl)phosphane);perchlorate (CID 10441227) is bis(acetonitrile);bis(copper(1+));bis(2-diphenylphosphanylethyl(diphenyl)phosphane);perchlorate.
What is the SMILES notation for bis(acetonitrile);bis(copper(1+));bis(2-diphenylphosphanylethyl(diphenyl)phosphane);perchlorate?
The canonical SMILES for bis(acetonitrile);bis(copper(1+));bis(2-diphenylphosphanylethyl(diphenyl)phosphane);perchlorate is CC#N.CC#N.[Cu+].[Cu+].[O-][Cl+3]([O-])([O-])[O-].c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of bis(acetonitrile);bis(copper(1+));bis(2-diphenylphosphanylethyl(diphenyl)phosphane);perchlorate?
The InChIKey is NEQYMQXSBCWQNW-UHFFFAOYSA-M. The full InChI is InChI=1S/2C26H24P2.2C2H3N.ClHO4.2Cu/c2*1-5-13-23(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;2*1-2-3;2-1(3,4)5;;/h2*1-20H,21-22H2;2*1H3;(H,2,3,4,5);;/q;;;;;2*+1/p-1.
What are the key properties of bis(acetonitrile);bis(copper(1+));bis(2-diphenylphosphanylethyl(diphenyl)phosphane);perchlorate?
bis(acetonitrile);bis(copper(1+));bis(2-diphenylphosphanylethyl(diphenyl)phosphane);perchlorate has a molecular weight of 1105.50 g/mol, XLogP of 6.80, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(acetonitrile);bis(copper(1+));bis(2-diphenylphosphanylethyl(diphenyl)phosphane);perchlorate is sourced from PubChem (CID 10441227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).