palladium;bis(triphenylphosphane)

C36H30P2Pd — CID 10122028

IUPACpalladium;bis(triphenylphosphane)
SMILES[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C18H15P.Pd/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h2*1-15H;
InChIKeyQJPQVXSHYBGQGM-UHFFFAOYSA-N
MW631.00 g/mol
LogP6.89
Rot. Bonds6

About palladium;bis(triphenylphosphane)

palladium;bis(triphenylphosphane) (PubChem CID 10122028) has the molecular formula C36H30P2Pd and a molecular weight of 631.00 g/mol. Its IUPAC name is palladium;bis(triphenylphosphane).

Molecular Properties

Compound Namepalladium;bis(triphenylphosphane)
PubChem CID10122028
Molecular FormulaC36H30P2Pd
Molecular Weight631.00 g/mol
Exact Mass630.09
IUPAC Namepalladium;bis(triphenylphosphane)
SMILES[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C18H15P.Pd/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h2*1-15H;
InChIKeyQJPQVXSHYBGQGM-UHFFFAOYSA-N
XLogP6.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500631.00
LogP ≤ 56.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

pentakis(palladium);hexadecakis(triphenylphosphane)
CID 173116735
palladium;ruthenium;triphenylphosphane
CID 174683160
methane;palladium;triphenylphosphane
CID 90407786
triphenylphosphane
CID 139056248
tris(triphenylphosphane);trihydrochloride
CID 173282987
tris(triphenylphosphane);hydrobromide
CID 172722268
triphenylphosphane;yttrium
CID 139917776
tetrakis(triphenylphosphane);dihydrochloride
CID 172855409
copper monohydride;hexakis(triphenylphosphane)
CID 134992255
silane;triphenylphosphane
CID 161037280
plutonium;triphenylphosphane
CID 161300359
CID 87948921
CID 87948921

Frequently Asked Questions

What is the IUPAC name of palladium;bis(triphenylphosphane)?
The IUPAC name of palladium;bis(triphenylphosphane) (CID 10122028) is palladium;bis(triphenylphosphane).
What is the SMILES notation for palladium;bis(triphenylphosphane)?
The canonical SMILES for palladium;bis(triphenylphosphane) is [Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of palladium;bis(triphenylphosphane)?
The InChIKey is QJPQVXSHYBGQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H15P.Pd/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h2*1-15H;.
What are the key properties of palladium;bis(triphenylphosphane)?
palladium;bis(triphenylphosphane) has a molecular weight of 631.00 g/mol, XLogP of 6.89, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for palladium;bis(triphenylphosphane) is sourced from PubChem (CID 10122028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).