2-[[2-(1-benzofuran-2-yl)phenyl]-phenylphosphanyl]benzenesulfonic acid;palladium

C26H19O4PPdS — CID 175338229

IUPAC2-[[2-(1-benzofuran-2-yl)phenyl]-phenylphosphanyl]benzenesulfonic acid;palladium
SMILESO=S(=O)(O)c1ccccc1P(c1ccccc1)c1ccccc1-c1cc2ccccc2o1.[Pd]
InChIInChI=1S/C26H19O4PS.Pd/c27-32(28,29)26-17-9-8-16-25(26)31(20-11-2-1-3-12-20)24-15-7-5-13-21(24)23-18-19-10-4-6-14-22(19)30-23;/h1-18H,(H,27,28,29);
InChIKeyXCOGJXLZFAGLFE-UHFFFAOYSA-N
MW564.90 g/mol
LogP5.10
Rot. Bonds5

About 2-[[2-(1-benzofuran-2-yl)phenyl]-phenylphosphanyl]benzenesulfonic acid;palladium

2-[[2-(1-benzofuran-2-yl)phenyl]-phenylphosphanyl]benzenesulfonic acid;palladium (PubChem CID 175338229) has the molecular formula C26H19O4PPdS and a molecular weight of 564.90 g/mol. Its IUPAC name is 2-[[2-(1-benzofuran-2-yl)phenyl]-phenylphosphanyl]benzenesulfonic acid;palladium.

Molecular Properties

Compound Name2-[[2-(1-benzofuran-2-yl)phenyl]-phenylphosphanyl]benzenesulfonic acid;palladium
PubChem CID175338229
Molecular FormulaC26H19O4PPdS
Molecular Weight564.90 g/mol
Exact Mass563.98
IUPAC Name2-[[2-(1-benzofuran-2-yl)phenyl]-phenylphosphanyl]benzenesulfonic acid;palladium
SMILESO=S(=O)(O)c1ccccc1P(c1ccccc1)c1ccccc1-c1cc2ccccc2o1.[Pd]
InChIInChI=1S/C26H19O4PS.Pd/c27-32(28,29)26-17-9-8-16-25(26)31(20-11-2-1-3-12-20)24-15-7-5-13-21(24)23-18-19-10-4-6-14-22(19)30-23;/h1-18H,(H,27,28,29);
InChIKeyXCOGJXLZFAGLFE-UHFFFAOYSA-N
XLogP5.10
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.90
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 2-[[2-(1-benzofuran-2-yl)phenyl]-phenylphosphanyl]benzenesulfonic acid;palladium with MolForge

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

Launch Full Analysis

Related Compounds

3-diphenylphosphanylbenzene-1,2-disulfonic acid
CID 150435100
5-diphenylphosphanylfuran-2-sulfonic acid
CID 142652032
2-[2-(1-benzofuran-2-yl)-6-chlorophenyl]propan-2-ol
CID 168815198
2-bis(3,5-ditert-butylphenyl)phosphanylbenzenesulfonic acid
CID 59676295
2-(1-benzofuran-2-yl)-6-chlorobenzaldehyde
CID 170403113
2-(2-bromophenyl)-1-benzofuran
CID 14669096
3-(1-benzofuran-2-yl)pyridine-2-carboxylic acid
CID 107525167
2-[4-(1-benzofuran-2-yl)-2,5-dichlorophenyl]-1-benzofuran
CID 67296045
5-(1-benzofuran-2-yl)benzo[a]anthracene-7,12-dione
CID 12614696
3-(2-hydroxyphenyl)chromen-2-one
CID 819892
1-(2-phenylethynyl)xanthen-3-one
CID 175005105
2-(2-ethenylphenyl)-1-benzofuran
CID 173437149

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1-benzofuran-2-yl)phenyl]-phenylphosphanyl]benzenesulfonic acid;palladium?
The IUPAC name of 2-[[2-(1-benzofuran-2-yl)phenyl]-phenylphosphanyl]benzenesulfonic acid;palladium (CID 175338229) is 2-[[2-(1-benzofuran-2-yl)phenyl]-phenylphosphanyl]benzenesulfonic acid;palladium.
What is the SMILES notation for 2-[[2-(1-benzofuran-2-yl)phenyl]-phenylphosphanyl]benzenesulfonic acid;palladium?
The canonical SMILES for 2-[[2-(1-benzofuran-2-yl)phenyl]-phenylphosphanyl]benzenesulfonic acid;palladium is O=S(=O)(O)c1ccccc1P(c1ccccc1)c1ccccc1-c1cc2ccccc2o1.[Pd].
What is the InChIKey of 2-[[2-(1-benzofuran-2-yl)phenyl]-phenylphosphanyl]benzenesulfonic acid;palladium?
The InChIKey is XCOGJXLZFAGLFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19O4PS.Pd/c27-32(28,29)26-17-9-8-16-25(26)31(20-11-2-1-3-12-20)24-15-7-5-13-21(24)23-18-19-10-4-6-14-22(19)30-23;/h1-18H,(H,27,28,29);.
What are the key properties of 2-[[2-(1-benzofuran-2-yl)phenyl]-phenylphosphanyl]benzenesulfonic acid;palladium?
2-[[2-(1-benzofuran-2-yl)phenyl]-phenylphosphanyl]benzenesulfonic acid;palladium has a molecular weight of 564.90 g/mol, XLogP of 5.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1-benzofuran-2-yl)phenyl]-phenylphosphanyl]benzenesulfonic acid;palladium is sourced from PubChem (CID 175338229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).