palladium;phenyl-(4-phenylphenyl)-(2-phenylphosphanylethyl)phosphane

C26H24P2Pd — CID 88614837

IUPACpalladium;phenyl-(4-phenylphenyl)-(2-phenylphosphanylethyl)phosphane
SMILES[Pd].c1ccc(PCCP(c2ccccc2)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C26H24P2.Pd/c1-4-10-22(11-5-1)23-16-18-26(19-17-23)28(25-14-8-3-9-15-25)21-20-27-24-12-6-2-7-13-24;/h1-19,27H,20-21H2;
InChIKeyJMXWSZMVZPKMFC-UHFFFAOYSA-N
MW504.85 g/mol
LogP5.79
Rot. Bonds7

About palladium;phenyl-(4-phenylphenyl)-(2-phenylphosphanylethyl)phosphane

palladium;phenyl-(4-phenylphenyl)-(2-phenylphosphanylethyl)phosphane (PubChem CID 88614837) has the molecular formula C26H24P2Pd and a molecular weight of 504.85 g/mol. Its IUPAC name is palladium;phenyl-(4-phenylphenyl)-(2-phenylphosphanylethyl)phosphane.

Molecular Properties

Compound Namepalladium;phenyl-(4-phenylphenyl)-(2-phenylphosphanylethyl)phosphane
PubChem CID88614837
Molecular FormulaC26H24P2Pd
Molecular Weight504.85 g/mol
Exact Mass504.04
IUPAC Namepalladium;phenyl-(4-phenylphenyl)-(2-phenylphosphanylethyl)phosphane
SMILES[Pd].c1ccc(PCCP(c2ccccc2)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C26H24P2.Pd/c1-4-10-22(11-5-1)23-16-18-26(19-17-23)28(25-14-8-3-9-15-25)21-20-27-24-12-6-2-7-13-24;/h1-19,27H,20-21H2;
InChIKeyJMXWSZMVZPKMFC-UHFFFAOYSA-N
XLogP5.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.85
LogP ≤ 55.79
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 palladium;phenyl-(4-phenylphenyl)-(2-phenylphosphanylethyl)phosphane?
The IUPAC name of palladium;phenyl-(4-phenylphenyl)-(2-phenylphosphanylethyl)phosphane (CID 88614837) is palladium;phenyl-(4-phenylphenyl)-(2-phenylphosphanylethyl)phosphane.
What is the SMILES notation for palladium;phenyl-(4-phenylphenyl)-(2-phenylphosphanylethyl)phosphane?
The canonical SMILES for palladium;phenyl-(4-phenylphenyl)-(2-phenylphosphanylethyl)phosphane is [Pd].c1ccc(PCCP(c2ccccc2)c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of palladium;phenyl-(4-phenylphenyl)-(2-phenylphosphanylethyl)phosphane?
The InChIKey is JMXWSZMVZPKMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24P2.Pd/c1-4-10-22(11-5-1)23-16-18-26(19-17-23)28(25-14-8-3-9-15-25)21-20-27-24-12-6-2-7-13-24;/h1-19,27H,20-21H2;.
What are the key properties of palladium;phenyl-(4-phenylphenyl)-(2-phenylphosphanylethyl)phosphane?
palladium;phenyl-(4-phenylphenyl)-(2-phenylphosphanylethyl)phosphane has a molecular weight of 504.85 g/mol, XLogP of 5.79, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for palladium;phenyl-(4-phenylphenyl)-(2-phenylphosphanylethyl)phosphane is sourced from PubChem (CID 88614837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).