bis(2-diphenylphosphanylethyl(diphenyl)phosphane);palladium

C52H48P4Pd — CID 2724231

IUPACbis(2-diphenylphosphanylethyl(diphenyl)phosphane);palladium
SMILES[Pd].c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C26H24P2.Pd/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;/h2*1-20H,21-22H2;
InChIKeyFAFGMAGIYHHRKN-UHFFFAOYSA-N
MW903.27 g/mol
LogP10.50
Rot. Bonds14

About bis(2-diphenylphosphanylethyl(diphenyl)phosphane);palladium

bis(2-diphenylphosphanylethyl(diphenyl)phosphane);palladium (PubChem CID 2724231) has the molecular formula C52H48P4Pd and a molecular weight of 903.27 g/mol. Its IUPAC name is bis(2-diphenylphosphanylethyl(diphenyl)phosphane);palladium.

Molecular Properties

Compound Namebis(2-diphenylphosphanylethyl(diphenyl)phosphane);palladium
PubChem CID2724231
Molecular FormulaC52H48P4Pd
Molecular Weight903.27 g/mol
Exact Mass902.17
IUPAC Namebis(2-diphenylphosphanylethyl(diphenyl)phosphane);palladium
SMILES[Pd].c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C26H24P2.Pd/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;/h2*1-20H,21-22H2;
InChIKeyFAFGMAGIYHHRKN-UHFFFAOYSA-N
XLogP10.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500903.27
LogP ≤ 510.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze bis(2-diphenylphosphanylethyl(diphenyl)phosphane);palladium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis(2-diphenylphosphanylethyl(diphenyl)phosphane);palladium?
The IUPAC name of bis(2-diphenylphosphanylethyl(diphenyl)phosphane);palladium (CID 2724231) is bis(2-diphenylphosphanylethyl(diphenyl)phosphane);palladium.
What is the SMILES notation for bis(2-diphenylphosphanylethyl(diphenyl)phosphane);palladium?
The canonical SMILES for bis(2-diphenylphosphanylethyl(diphenyl)phosphane);palladium is [Pd].c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of bis(2-diphenylphosphanylethyl(diphenyl)phosphane);palladium?
The InChIKey is FAFGMAGIYHHRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H24P2.Pd/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;/h2*1-20H,21-22H2;.
What are the key properties of bis(2-diphenylphosphanylethyl(diphenyl)phosphane);palladium?
bis(2-diphenylphosphanylethyl(diphenyl)phosphane);palladium has a molecular weight of 903.27 g/mol, XLogP of 10.50, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-diphenylphosphanylethyl(diphenyl)phosphane);palladium is sourced from PubChem (CID 2724231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).