acetic acid;dicyclohexyl-(2-phenylphenyl)phosphane;palladium

C26H35O2PPd — CID 87149866

IUPACacetic acid;dicyclohexyl-(2-phenylphenyl)phosphane;palladium
SMILESCC(=O)O.[Pd].c1ccc(-c2ccccc2P(C2CCCCC2)C2CCCCC2)cc1
InChIInChI=1S/C24H31P.C2H4O2.Pd/c1-4-12-20(13-5-1)23-18-10-11-19-24(23)25(21-14-6-2-7-15-21)22-16-8-3-9-17-22;1-2(3)4;/h1,4-5,10-13,18-19,21-22H,2-3,6-9,14-17H2;1H3,(H,3,4);
InChIKeyKSVNNGPZHHJQCH-UHFFFAOYSA-N
MW516.96 g/mol
LogP7.21
Rot. Bonds4

About acetic acid;dicyclohexyl-(2-phenylphenyl)phosphane;palladium

acetic acid;dicyclohexyl-(2-phenylphenyl)phosphane;palladium (PubChem CID 87149866) has the molecular formula C26H35O2PPd and a molecular weight of 516.96 g/mol. Its IUPAC name is acetic acid;dicyclohexyl-(2-phenylphenyl)phosphane;palladium.

Molecular Properties

Compound Nameacetic acid;dicyclohexyl-(2-phenylphenyl)phosphane;palladium
PubChem CID87149866
Molecular FormulaC26H35O2PPd
Molecular Weight516.96 g/mol
Exact Mass516.14
IUPAC Nameacetic acid;dicyclohexyl-(2-phenylphenyl)phosphane;palladium
SMILESCC(=O)O.[Pd].c1ccc(-c2ccccc2P(C2CCCCC2)C2CCCCC2)cc1
InChIInChI=1S/C24H31P.C2H4O2.Pd/c1-4-12-20(13-5-1)23-18-10-11-19-24(23)25(21-14-6-2-7-15-21)22-16-8-3-9-17-22;1-2(3)4;/h1,4-5,10-13,18-19,21-22H,2-3,6-9,14-17H2;1H3,(H,3,4);
InChIKeyKSVNNGPZHHJQCH-UHFFFAOYSA-N
XLogP7.21
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.96
LogP ≤ 57.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze acetic acid;dicyclohexyl-(2-phenylphenyl)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 acetic acid;dicyclohexyl-(2-phenylphenyl)phosphane;palladium?
The IUPAC name of acetic acid;dicyclohexyl-(2-phenylphenyl)phosphane;palladium (CID 87149866) is acetic acid;dicyclohexyl-(2-phenylphenyl)phosphane;palladium.
What is the SMILES notation for acetic acid;dicyclohexyl-(2-phenylphenyl)phosphane;palladium?
The canonical SMILES for acetic acid;dicyclohexyl-(2-phenylphenyl)phosphane;palladium is CC(=O)O.[Pd].c1ccc(-c2ccccc2P(C2CCCCC2)C2CCCCC2)cc1.
What is the InChIKey of acetic acid;dicyclohexyl-(2-phenylphenyl)phosphane;palladium?
The InChIKey is KSVNNGPZHHJQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31P.C2H4O2.Pd/c1-4-12-20(13-5-1)23-18-10-11-19-24(23)25(21-14-6-2-7-15-21)22-16-8-3-9-17-22;1-2(3)4;/h1,4-5,10-13,18-19,21-22H,2-3,6-9,14-17H2;1H3,(H,3,4);.
What are the key properties of acetic acid;dicyclohexyl-(2-phenylphenyl)phosphane;palladium?
acetic acid;dicyclohexyl-(2-phenylphenyl)phosphane;palladium has a molecular weight of 516.96 g/mol, XLogP of 7.21, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;dicyclohexyl-(2-phenylphenyl)phosphane;palladium is sourced from PubChem (CID 87149866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).