palladium;bis(tribenzylphosphane)

C42H42P2Pd — CID 87652258

IUPACpalladium;bis(tribenzylphosphane)
SMILES[Pd].c1ccc(CP(Cc2ccccc2)Cc2ccccc2)cc1.c1ccc(CP(Cc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/2C21H21P.Pd/c2*1-4-10-19(11-5-1)16-22(17-20-12-6-2-7-13-20)18-21-14-8-3-9-15-21;/h2*1-15H,16-18H2;
InChIKeyQTPOWVJOXJGNKS-UHFFFAOYSA-N
MW715.17 g/mol
LogP12.14
Rot. Bonds12

About palladium;bis(tribenzylphosphane)

palladium;bis(tribenzylphosphane) (PubChem CID 87652258) has the molecular formula C42H42P2Pd and a molecular weight of 715.17 g/mol. Its IUPAC name is palladium;bis(tribenzylphosphane).

Molecular Properties

Compound Namepalladium;bis(tribenzylphosphane)
PubChem CID87652258
Molecular FormulaC42H42P2Pd
Molecular Weight715.17 g/mol
Exact Mass714.18
IUPAC Namepalladium;bis(tribenzylphosphane)
SMILES[Pd].c1ccc(CP(Cc2ccccc2)Cc2ccccc2)cc1.c1ccc(CP(Cc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/2C21H21P.Pd/c2*1-4-10-19(11-5-1)16-22(17-20-12-6-2-7-13-20)18-21-14-8-3-9-15-21;/h2*1-15H,16-18H2;
InChIKeyQTPOWVJOXJGNKS-UHFFFAOYSA-N
XLogP12.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.17
LogP ≤ 512.14
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

chloromethanone;ruthenium(1+) monohydride;tris(tribenzylphosphane)
CID 173451845
dibenzyl(2-dibenzylphosphanylethyl)phosphane;dichloronickel
CID 6102221
dibenzyl-[2-(2-dibenzylphosphanylethoxy)ethyl]phosphane
CID 12037877
benzyl-butyl-ethylphosphane
CID 54234955
benzyl-bis(2-phenylethoxy)phosphane
CID 141159288
dibenzyl(1-dibenzylphosphanylethyl)phosphane
CID 21296881
tris[(3-methylphenyl)methyl]phosphane
CID 19845609
1-N,1-N,4-N,4-N-tetrakis(dibenzylphosphanyl)benzene-1,4-diamine
CID 102107283
phenyl(113C)methylbenzene
CID 11194569
benzene;2-phenylethylbenzene
CID 18982764
tetrabenzylgermane
CID 4197106
benzyl(diethoxy)phosphane
CID 13274714

Frequently Asked Questions

What is the IUPAC name of palladium;bis(tribenzylphosphane)?
The IUPAC name of palladium;bis(tribenzylphosphane) (CID 87652258) is palladium;bis(tribenzylphosphane).
What is the SMILES notation for palladium;bis(tribenzylphosphane)?
The canonical SMILES for palladium;bis(tribenzylphosphane) is [Pd].c1ccc(CP(Cc2ccccc2)Cc2ccccc2)cc1.c1ccc(CP(Cc2ccccc2)Cc2ccccc2)cc1.
What is the InChIKey of palladium;bis(tribenzylphosphane)?
The InChIKey is QTPOWVJOXJGNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H21P.Pd/c2*1-4-10-19(11-5-1)16-22(17-20-12-6-2-7-13-20)18-21-14-8-3-9-15-21;/h2*1-15H,16-18H2;.
What are the key properties of palladium;bis(tribenzylphosphane)?
palladium;bis(tribenzylphosphane) has a molecular weight of 715.17 g/mol, XLogP of 12.14, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for palladium;bis(tribenzylphosphane) is sourced from PubChem (CID 87652258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).