bis(benzyl(diphenyl)phosphane);dichloropalladium

C38H34Cl2P2Pd — CID 134992154

IUPACbis(benzyl(diphenyl)phosphane);dichloropalladium
SMILESCl[Pd]Cl.c1ccc(CP(c2ccccc2)c2ccccc2)cc1.c1ccc(CP(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C19H17P.2ClH.Pd/c2*1-4-10-17(11-5-1)16-20(18-12-6-2-7-13-18)19-14-8-3-9-15-19;;;/h2*1-15H,16H2;2*1H;/q;;;;+2/p-2
InChIKeyRTHVDCOTJIVBAC-UHFFFAOYSA-L
MW729.96 g/mol
LogP10.02
Rot. Bonds8

About bis(benzyl(diphenyl)phosphane);dichloropalladium

bis(benzyl(diphenyl)phosphane);dichloropalladium (PubChem CID 134992154) has the molecular formula C38H34Cl2P2Pd and a molecular weight of 729.96 g/mol. Its IUPAC name is bis(benzyl(diphenyl)phosphane);dichloropalladium.

Molecular Properties

Compound Namebis(benzyl(diphenyl)phosphane);dichloropalladium
PubChem CID134992154
Molecular FormulaC38H34Cl2P2Pd
Molecular Weight729.96 g/mol
Exact Mass728.05
IUPAC Namebis(benzyl(diphenyl)phosphane);dichloropalladium
SMILESCl[Pd]Cl.c1ccc(CP(c2ccccc2)c2ccccc2)cc1.c1ccc(CP(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C19H17P.2ClH.Pd/c2*1-4-10-17(11-5-1)16-20(18-12-6-2-7-13-18)19-14-8-3-9-15-19;;;/h2*1-15H,16H2;2*1H;/q;;;;+2/p-2
InChIKeyRTHVDCOTJIVBAC-UHFFFAOYSA-L
XLogP10.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.96
LogP ≤ 510.02
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

dichloropalladium;bis(ethyl(diphenyl)phosphane)
CID 22638849
chlororuthenium;[3-(diphenylphosphanylmethyl)phenyl]methyl-diphenylphosphane;triphenylphosphane
CID 11480006
benzene;[4-(diphenylphosphanylmethyl)phenyl]methyl-diphenylphosphane;bis(gold(1+))
CID 135082503
[2,6-dichloro-4-(diphenylphosphanylmethyl)phenyl]methyl-diphenylphosphane
CID 139626936
benzyl-bis(4-methoxyphenyl)phosphane
CID 19835460
chloronickel;2-diphenylphosphanylethyl(diphenyl)phosphane
CID 12000429
dichloropalladium;3-diphenylphosphanylpropyl(diphenyl)phosphane
CID 57485277
[5-(diphenylphosphanylmethyl)-3-pyridinyl]methyl-diphenylphosphane
CID 15763240
copper;2-diphenylphosphanylethyl(diphenyl)phosphane
CID 172691884
benzyl-phenyl-(2,4,6-trimethylphenyl)phosphane
CID 91019854
[3,5-bis(phenylmethoxy)phenyl]methyl-diphenylphosphane
CID 11982331
diphenyl-[[3-(phenylsulfanylmethyl)phenyl]methyl]phosphane
CID 24894846

Frequently Asked Questions

What is the IUPAC name of bis(benzyl(diphenyl)phosphane);dichloropalladium?
The IUPAC name of bis(benzyl(diphenyl)phosphane);dichloropalladium (CID 134992154) is bis(benzyl(diphenyl)phosphane);dichloropalladium.
What is the SMILES notation for bis(benzyl(diphenyl)phosphane);dichloropalladium?
The canonical SMILES for bis(benzyl(diphenyl)phosphane);dichloropalladium is Cl[Pd]Cl.c1ccc(CP(c2ccccc2)c2ccccc2)cc1.c1ccc(CP(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of bis(benzyl(diphenyl)phosphane);dichloropalladium?
The InChIKey is RTHVDCOTJIVBAC-UHFFFAOYSA-L. The full InChI is InChI=1S/2C19H17P.2ClH.Pd/c2*1-4-10-17(11-5-1)16-20(18-12-6-2-7-13-18)19-14-8-3-9-15-19;;;/h2*1-15H,16H2;2*1H;/q;;;;+2/p-2.
What are the key properties of bis(benzyl(diphenyl)phosphane);dichloropalladium?
bis(benzyl(diphenyl)phosphane);dichloropalladium has a molecular weight of 729.96 g/mol, XLogP of 10.02, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(benzyl(diphenyl)phosphane);dichloropalladium is sourced from PubChem (CID 134992154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).