bis(2-diphenylphosphanylbenzoic acid);palladium(2+);dichloride

C38H30Cl2O4P2Pd — CID 10190846

IUPACbis(2-diphenylphosphanylbenzoic acid);palladium(2+);dichloride
SMILESO=C(O)c1ccccc1P(c1ccccc1)c1ccccc1.O=C(O)c1ccccc1P(c1ccccc1)c1ccccc1.[Cl-].[Cl-].[Pd+2]
InChIInChI=1S/2C19H15O2P.2ClH.Pd/c2*20-19(21)17-13-7-8-14-18(17)22(15-9-3-1-4-10-15)16-11-5-2-6-12-16;;;/h2*1-14H,(H,20,21);2*1H;/q;;;;+2/p-2
InChIKeyFKNHOEZQUYWTIM-UHFFFAOYSA-L
MW789.93 g/mol
LogP0.29
Rot. Bonds8

About bis(2-diphenylphosphanylbenzoic acid);palladium(2+);dichloride

bis(2-diphenylphosphanylbenzoic acid);palladium(2+);dichloride (PubChem CID 10190846) has the molecular formula C38H30Cl2O4P2Pd and a molecular weight of 789.93 g/mol. Its IUPAC name is bis(2-diphenylphosphanylbenzoic acid);palladium(2+);dichloride.

Molecular Properties

Compound Namebis(2-diphenylphosphanylbenzoic acid);palladium(2+);dichloride
PubChem CID10190846
Molecular FormulaC38H30Cl2O4P2Pd
Molecular Weight789.93 g/mol
Exact Mass788.00
IUPAC Namebis(2-diphenylphosphanylbenzoic acid);palladium(2+);dichloride
SMILESO=C(O)c1ccccc1P(c1ccccc1)c1ccccc1.O=C(O)c1ccccc1P(c1ccccc1)c1ccccc1.[Cl-].[Cl-].[Pd+2]
InChIInChI=1S/2C19H15O2P.2ClH.Pd/c2*20-19(21)17-13-7-8-14-18(17)22(15-9-3-1-4-10-15)16-11-5-2-6-12-16;;;/h2*1-14H,(H,20,21);2*1H;/q;;;;+2/p-2
InChIKeyFKNHOEZQUYWTIM-UHFFFAOYSA-L
XLogP0.29
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms47
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500789.93
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of bis(2-diphenylphosphanylbenzoic acid);palladium(2+);dichloride?
The IUPAC name of bis(2-diphenylphosphanylbenzoic acid);palladium(2+);dichloride (CID 10190846) is bis(2-diphenylphosphanylbenzoic acid);palladium(2+);dichloride.
What is the SMILES notation for bis(2-diphenylphosphanylbenzoic acid);palladium(2+);dichloride?
The canonical SMILES for bis(2-diphenylphosphanylbenzoic acid);palladium(2+);dichloride is O=C(O)c1ccccc1P(c1ccccc1)c1ccccc1.O=C(O)c1ccccc1P(c1ccccc1)c1ccccc1.[Cl-].[Cl-].[Pd+2].
What is the InChIKey of bis(2-diphenylphosphanylbenzoic acid);palladium(2+);dichloride?
The InChIKey is FKNHOEZQUYWTIM-UHFFFAOYSA-L. The full InChI is InChI=1S/2C19H15O2P.2ClH.Pd/c2*20-19(21)17-13-7-8-14-18(17)22(15-9-3-1-4-10-15)16-11-5-2-6-12-16;;;/h2*1-14H,(H,20,21);2*1H;/q;;;;+2/p-2.
What are the key properties of bis(2-diphenylphosphanylbenzoic acid);palladium(2+);dichloride?
bis(2-diphenylphosphanylbenzoic acid);palladium(2+);dichloride has a molecular weight of 789.93 g/mol, XLogP of 0.29, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-diphenylphosphanylbenzoic acid);palladium(2+);dichloride is sourced from PubChem (CID 10190846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).