copper;2-diphenylphosphanylethyl(diphenyl)phosphane

C26H24CuP2 — CID 172691884

IUPACcopper;2-diphenylphosphanylethyl(diphenyl)phosphane
SMILES[Cu].c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H24P2.Cu/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;/h1-20H,21-22H2;
InChIKeyBUCLQPHYLUMEGI-UHFFFAOYSA-N
MW461.97 g/mol
LogP5.25
Rot. Bonds7

About copper;2-diphenylphosphanylethyl(diphenyl)phosphane

copper;2-diphenylphosphanylethyl(diphenyl)phosphane (PubChem CID 172691884) has the molecular formula C26H24CuP2 and a molecular weight of 461.97 g/mol. Its IUPAC name is copper;2-diphenylphosphanylethyl(diphenyl)phosphane.

Molecular Properties

Compound Namecopper;2-diphenylphosphanylethyl(diphenyl)phosphane
PubChem CID172691884
Molecular FormulaC26H24CuP2
Molecular Weight461.97 g/mol
Exact Mass461.06
IUPAC Namecopper;2-diphenylphosphanylethyl(diphenyl)phosphane
SMILES[Cu].c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H24P2.Cu/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;/h1-20H,21-22H2;
InChIKeyBUCLQPHYLUMEGI-UHFFFAOYSA-N
XLogP5.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms29
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.97
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of copper;2-diphenylphosphanylethyl(diphenyl)phosphane?
The IUPAC name of copper;2-diphenylphosphanylethyl(diphenyl)phosphane (CID 172691884) is copper;2-diphenylphosphanylethyl(diphenyl)phosphane.
What is the SMILES notation for copper;2-diphenylphosphanylethyl(diphenyl)phosphane?
The canonical SMILES for copper;2-diphenylphosphanylethyl(diphenyl)phosphane is [Cu].c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of copper;2-diphenylphosphanylethyl(diphenyl)phosphane?
The InChIKey is BUCLQPHYLUMEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24P2.Cu/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;/h1-20H,21-22H2;.
What are the key properties of copper;2-diphenylphosphanylethyl(diphenyl)phosphane?
copper;2-diphenylphosphanylethyl(diphenyl)phosphane has a molecular weight of 461.97 g/mol, XLogP of 5.25, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for copper;2-diphenylphosphanylethyl(diphenyl)phosphane is sourced from PubChem (CID 172691884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).