palladium;bis(trioctylphosphanium)

C48H104P2Pd+2 — CID 88742312

IUPACpalladium;bis(trioctylphosphanium)
SMILESCCCCCCCC[PH+](CCCCCCCC)CCCCCCCC.CCCCCCCC[PH+](CCCCCCCC)CCCCCCCC.[Pd]
InChIInChI=1S/2C24H51P.Pd/c2*1-4-7-10-13-16-19-22-25(23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3;/h2*4-24H2,1-3H3;/p+2
InChIKeyMOLCVPNNEWNCJD-UHFFFAOYSA-P
MW849.73 g/mol
LogP18.56
Rot. Bonds42

About palladium;bis(trioctylphosphanium)

palladium;bis(trioctylphosphanium) (PubChem CID 88742312) has the molecular formula C48H104P2Pd+2 and a molecular weight of 849.73 g/mol. Its IUPAC name is palladium;bis(trioctylphosphanium).

Molecular Properties

Compound Namepalladium;bis(trioctylphosphanium)
PubChem CID88742312
Molecular FormulaC48H104P2Pd+2
Molecular Weight849.73 g/mol
Exact Mass848.66
IUPAC Namepalladium;bis(trioctylphosphanium)
SMILESCCCCCCCC[PH+](CCCCCCCC)CCCCCCCC.CCCCCCCC[PH+](CCCCCCCC)CCCCCCCC.[Pd]
InChIInChI=1S/2C24H51P.Pd/c2*1-4-7-10-13-16-19-22-25(23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3;/h2*4-24H2,1-3H3;/p+2
InChIKeyMOLCVPNNEWNCJD-UHFFFAOYSA-P
XLogP18.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds42
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500849.73
LogP ≤ 518.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

nickel(2+);bis(tributylphosphanium);dibromide
CID 171703323
CID 161246447
CID 161246447
dohexacontane
CID 522644
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
decane;heptane
CID 159049036
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649
henoctacontane
CID 22086342
triacontane
CID 12535
dictane
CID 19848341
heptahectane
CID 123338944

Frequently Asked Questions

What is the IUPAC name of palladium;bis(trioctylphosphanium)?
The IUPAC name of palladium;bis(trioctylphosphanium) (CID 88742312) is palladium;bis(trioctylphosphanium).
What is the SMILES notation for palladium;bis(trioctylphosphanium)?
The canonical SMILES for palladium;bis(trioctylphosphanium) is CCCCCCCC[PH+](CCCCCCCC)CCCCCCCC.CCCCCCCC[PH+](CCCCCCCC)CCCCCCCC.[Pd].
What is the InChIKey of palladium;bis(trioctylphosphanium)?
The InChIKey is MOLCVPNNEWNCJD-UHFFFAOYSA-P. The full InChI is InChI=1S/2C24H51P.Pd/c2*1-4-7-10-13-16-19-22-25(23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3;/h2*4-24H2,1-3H3;/p+2.
What are the key properties of palladium;bis(trioctylphosphanium)?
palladium;bis(trioctylphosphanium) has a molecular weight of 849.73 g/mol, XLogP of 18.56, 42 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for palladium;bis(trioctylphosphanium) is sourced from PubChem (CID 88742312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).