palladium;tetrakis(triphenylphosphanium)

C72H64P4Pd+4 — CID 54587875

IUPACpalladium;tetrakis(triphenylphosphanium)
SMILES[Pd].c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/4C18H15P.Pd/c4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h4*1-15H;/p+4
InChIKeyNFHFRUOZVGFOOS-UHFFFAOYSA-R
MW1159.62 g/mol
LogP12.71
Rot. Bonds12

About palladium;tetrakis(triphenylphosphanium)

palladium;tetrakis(triphenylphosphanium) (PubChem CID 54587875) has the molecular formula C72H64P4Pd+4 and a molecular weight of 1159.62 g/mol. Its IUPAC name is palladium;tetrakis(triphenylphosphanium).

Molecular Properties

Compound Namepalladium;tetrakis(triphenylphosphanium)
PubChem CID54587875
Molecular FormulaC72H64P4Pd+4
Molecular Weight1159.62 g/mol
Exact Mass1158.30
IUPAC Namepalladium;tetrakis(triphenylphosphanium)
SMILES[Pd].c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/4C18H15P.Pd/c4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h4*1-15H;/p+4
InChIKeyNFHFRUOZVGFOOS-UHFFFAOYSA-R
XLogP12.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001159.62
LogP ≤ 512.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of palladium;tetrakis(triphenylphosphanium)?
The IUPAC name of palladium;tetrakis(triphenylphosphanium) (CID 54587875) is palladium;tetrakis(triphenylphosphanium).
What is the SMILES notation for palladium;tetrakis(triphenylphosphanium)?
The canonical SMILES for palladium;tetrakis(triphenylphosphanium) is [Pd].c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of palladium;tetrakis(triphenylphosphanium)?
The InChIKey is NFHFRUOZVGFOOS-UHFFFAOYSA-R. The full InChI is InChI=1S/4C18H15P.Pd/c4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h4*1-15H;/p+4.
What are the key properties of palladium;tetrakis(triphenylphosphanium)?
palladium;tetrakis(triphenylphosphanium) has a molecular weight of 1159.62 g/mol, XLogP of 12.71, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for palladium;tetrakis(triphenylphosphanium) is sourced from PubChem (CID 54587875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).