diphenylphosphane;bis(1H-naphthalen-1-ide);palladium(2+)

C32H25PPd — CID 174537984

IUPACdiphenylphosphane;bis(1H-naphthalen-1-ide);palladium(2+)
SMILES[Pd+2].[c-]1cccc2ccccc12.[c-]1cccc2ccccc12.c1ccc(Pc2ccccc2)cc1
InChIInChI=1S/C12H11P.2C10H7.Pd/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;2*1-2-6-10-8-4-3-7-9(10)5-1;/h1-10,13H;2*1-7H;/q;2*-1;+2
InChIKeyOSIMYRCCDZBOOS-UHFFFAOYSA-N
MW546.95 g/mol
LogP7.59
Rot. Bonds2

About diphenylphosphane;bis(1H-naphthalen-1-ide);palladium(2+)

diphenylphosphane;bis(1H-naphthalen-1-ide);palladium(2+) (PubChem CID 174537984) has the molecular formula C32H25PPd and a molecular weight of 546.95 g/mol. Its IUPAC name is diphenylphosphane;bis(1H-naphthalen-1-ide);palladium(2+).

Molecular Properties

Compound Namediphenylphosphane;bis(1H-naphthalen-1-ide);palladium(2+)
PubChem CID174537984
Molecular FormulaC32H25PPd
Molecular Weight546.95 g/mol
Exact Mass546.07
IUPAC Namediphenylphosphane;bis(1H-naphthalen-1-ide);palladium(2+)
SMILES[Pd+2].[c-]1cccc2ccccc12.[c-]1cccc2ccccc12.c1ccc(Pc2ccccc2)cc1
InChIInChI=1S/C12H11P.2C10H7.Pd/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;2*1-2-6-10-8-4-3-7-9(10)5-1;/h1-10,13H;2*1-7H;/q;2*-1;+2
InChIKeyOSIMYRCCDZBOOS-UHFFFAOYSA-N
XLogP7.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.95
LogP ≤ 57.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diphenylphosphane;bis(1H-naphthalen-1-ide);palladium(2+)?
The IUPAC name of diphenylphosphane;bis(1H-naphthalen-1-ide);palladium(2+) (CID 174537984) is diphenylphosphane;bis(1H-naphthalen-1-ide);palladium(2+).
What is the SMILES notation for diphenylphosphane;bis(1H-naphthalen-1-ide);palladium(2+)?
The canonical SMILES for diphenylphosphane;bis(1H-naphthalen-1-ide);palladium(2+) is [Pd+2].[c-]1cccc2ccccc12.[c-]1cccc2ccccc12.c1ccc(Pc2ccccc2)cc1.
What is the InChIKey of diphenylphosphane;bis(1H-naphthalen-1-ide);palladium(2+)?
The InChIKey is OSIMYRCCDZBOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11P.2C10H7.Pd/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;2*1-2-6-10-8-4-3-7-9(10)5-1;/h1-10,13H;2*1-7H;/q;2*-1;+2.
What are the key properties of diphenylphosphane;bis(1H-naphthalen-1-ide);palladium(2+)?
diphenylphosphane;bis(1H-naphthalen-1-ide);palladium(2+) has a molecular weight of 546.95 g/mol, XLogP of 7.59, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diphenylphosphane;bis(1H-naphthalen-1-ide);palladium(2+) is sourced from PubChem (CID 174537984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).