[2-[dichloro(phenyl)methyl]phenyl]-diphenylphosphane;palladium(2+)

C25H19Cl2PPd+2 — CID 175798666

IUPAC[2-[dichloro(phenyl)methyl]phenyl]-diphenylphosphane;palladium(2+)
SMILESClC(Cl)(c1ccccc1)c1ccccc1P(c1ccccc1)c1ccccc1.[Pd+2]
InChIInChI=1S/C25H19Cl2P.Pd/c26-25(27,20-12-4-1-5-13-20)23-18-10-11-19-24(23)28(21-14-6-2-7-15-21)22-16-8-3-9-17-22;/h1-19H;/q;+2
InChIKeyCUWDETMLIRVDHT-UHFFFAOYSA-N
MW527.73 g/mol
LogP6.12
Rot. Bonds5

About [2-[dichloro(phenyl)methyl]phenyl]-diphenylphosphane;palladium(2+)

[2-[dichloro(phenyl)methyl]phenyl]-diphenylphosphane;palladium(2+) (PubChem CID 175798666) has the molecular formula C25H19Cl2PPd+2 and a molecular weight of 527.73 g/mol. Its IUPAC name is [2-[dichloro(phenyl)methyl]phenyl]-diphenylphosphane;palladium(2+).

Molecular Properties

Compound Name[2-[dichloro(phenyl)methyl]phenyl]-diphenylphosphane;palladium(2+)
PubChem CID175798666
Molecular FormulaC25H19Cl2PPd+2
Molecular Weight527.73 g/mol
Exact Mass525.96
IUPAC Name[2-[dichloro(phenyl)methyl]phenyl]-diphenylphosphane;palladium(2+)
SMILESClC(Cl)(c1ccccc1)c1ccccc1P(c1ccccc1)c1ccccc1.[Pd+2]
InChIInChI=1S/C25H19Cl2P.Pd/c26-25(27,20-12-4-1-5-13-20)23-18-10-11-19-24(23)28(21-14-6-2-7-15-21)22-16-8-3-9-17-22;/h1-19H;/q;+2
InChIKeyCUWDETMLIRVDHT-UHFFFAOYSA-N
XLogP6.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.73
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-[dichloro(phenyl)methyl]phenyl]-diphenylphosphane;palladium(2+)?
The IUPAC name of [2-[dichloro(phenyl)methyl]phenyl]-diphenylphosphane;palladium(2+) (CID 175798666) is [2-[dichloro(phenyl)methyl]phenyl]-diphenylphosphane;palladium(2+).
What is the SMILES notation for [2-[dichloro(phenyl)methyl]phenyl]-diphenylphosphane;palladium(2+)?
The canonical SMILES for [2-[dichloro(phenyl)methyl]phenyl]-diphenylphosphane;palladium(2+) is ClC(Cl)(c1ccccc1)c1ccccc1P(c1ccccc1)c1ccccc1.[Pd+2].
What is the InChIKey of [2-[dichloro(phenyl)methyl]phenyl]-diphenylphosphane;palladium(2+)?
The InChIKey is CUWDETMLIRVDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19Cl2P.Pd/c26-25(27,20-12-4-1-5-13-20)23-18-10-11-19-24(23)28(21-14-6-2-7-15-21)22-16-8-3-9-17-22;/h1-19H;/q;+2.
What are the key properties of [2-[dichloro(phenyl)methyl]phenyl]-diphenylphosphane;palladium(2+)?
[2-[dichloro(phenyl)methyl]phenyl]-diphenylphosphane;palladium(2+) has a molecular weight of 527.73 g/mol, XLogP of 6.12, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[dichloro(phenyl)methyl]phenyl]-diphenylphosphane;palladium(2+) is sourced from PubChem (CID 175798666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).