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

C82H78Cl2Cu2N2O8P6 — CID 11982236

IUPACbis(acetonitrile);bis(copper(1+));tris(2-diphenylphosphanylethyl(diphenyl)phosphane);diperchlorate
SMILESCC#N.CC#N.[Cu+].[Cu+].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/3C26H24P2.2C2H3N.2ClHO4.2Cu/c3*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*2-1(3,4)5;;/h3*1-20H,21-22H2;2*1H3;2*(H,2,3,4,5);;/q;;;;;;;2*+1/p-2
InChIKeyQJTUNHANCDFFCX-UHFFFAOYSA-L
MW1603.37 g/mol
LogP7.30
Rot. Bonds21

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

bis(acetonitrile);bis(copper(1+));tris(2-diphenylphosphanylethyl(diphenyl)phosphane);diperchlorate (PubChem CID 11982236) has the molecular formula C82H78Cl2Cu2N2O8P6 and a molecular weight of 1603.37 g/mol. Its IUPAC name is bis(acetonitrile);bis(copper(1+));tris(2-diphenylphosphanylethyl(diphenyl)phosphane);diperchlorate.

Molecular Properties

Compound Namebis(acetonitrile);bis(copper(1+));tris(2-diphenylphosphanylethyl(diphenyl)phosphane);diperchlorate
PubChem CID11982236
Molecular FormulaC82H78Cl2Cu2N2O8P6
Molecular Weight1603.37 g/mol
Exact Mass1600.22
IUPAC Namebis(acetonitrile);bis(copper(1+));tris(2-diphenylphosphanylethyl(diphenyl)phosphane);diperchlorate
SMILESCC#N.CC#N.[Cu+].[Cu+].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/3C26H24P2.2C2H3N.2ClHO4.2Cu/c3*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*2-1(3,4)5;;/h3*1-20H,21-22H2;2*1H3;2*(H,2,3,4,5);;/q;;;;;;;2*+1/p-2
InChIKeyQJTUNHANCDFFCX-UHFFFAOYSA-L
XLogP7.30
TPSA232.06 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds21
Heavy Atoms102
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001603.37
LogP ≤ 57.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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
pentakis(acetonitrile);bis(copper(1+));2-diphenylphosphanylethyl(diphenyl)phosphane;perchlorate
CID 10395690
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 bis(acetonitrile);bis(copper(1+));tris(2-diphenylphosphanylethyl(diphenyl)phosphane);diperchlorate?
The IUPAC name of bis(acetonitrile);bis(copper(1+));tris(2-diphenylphosphanylethyl(diphenyl)phosphane);diperchlorate (CID 11982236) is bis(acetonitrile);bis(copper(1+));tris(2-diphenylphosphanylethyl(diphenyl)phosphane);diperchlorate.
What is the SMILES notation for bis(acetonitrile);bis(copper(1+));tris(2-diphenylphosphanylethyl(diphenyl)phosphane);diperchlorate?
The canonical SMILES for bis(acetonitrile);bis(copper(1+));tris(2-diphenylphosphanylethyl(diphenyl)phosphane);diperchlorate is CC#N.CC#N.[Cu+].[Cu+].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of bis(acetonitrile);bis(copper(1+));tris(2-diphenylphosphanylethyl(diphenyl)phosphane);diperchlorate?
The InChIKey is QJTUNHANCDFFCX-UHFFFAOYSA-L. The full InChI is InChI=1S/3C26H24P2.2C2H3N.2ClHO4.2Cu/c3*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*2-1(3,4)5;;/h3*1-20H,21-22H2;2*1H3;2*(H,2,3,4,5);;/q;;;;;;;2*+1/p-2.
What are the key properties of bis(acetonitrile);bis(copper(1+));tris(2-diphenylphosphanylethyl(diphenyl)phosphane);diperchlorate?
bis(acetonitrile);bis(copper(1+));tris(2-diphenylphosphanylethyl(diphenyl)phosphane);diperchlorate has a molecular weight of 1603.37 g/mol, XLogP of 7.30, 21 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis(acetonitrile);bis(copper(1+));tris(2-diphenylphosphanylethyl(diphenyl)phosphane);diperchlorate is sourced from PubChem (CID 11982236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).