dibenzylphosphane;dichloropalladium;iron

C14H15Cl2FePPd — CID 175421124

IUPACdibenzylphosphane;dichloropalladium;iron
SMILESCl[Pd]Cl.[Fe].c1ccc(CPCc2ccccc2)cc1
InChIInChI=1S/C14H15P.2ClH.Fe.Pd/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14;;;;/h1-10,15H,11-12H2;2*1H;;/q;;;;+2/p-2
InChIKeyXUPUXVXYLFLLFE-UHFFFAOYSA-L
MW447.42 g/mol
LogP5.44
Rot. Bonds4

About dibenzylphosphane;dichloropalladium;iron

dibenzylphosphane;dichloropalladium;iron (PubChem CID 175421124) has the molecular formula C14H15Cl2FePPd and a molecular weight of 447.42 g/mol. Its IUPAC name is dibenzylphosphane;dichloropalladium;iron.

Molecular Properties

Compound Namedibenzylphosphane;dichloropalladium;iron
PubChem CID175421124
Molecular FormulaC14H15Cl2FePPd
Molecular Weight447.42 g/mol
Exact Mass445.87
IUPAC Namedibenzylphosphane;dichloropalladium;iron
SMILESCl[Pd]Cl.[Fe].c1ccc(CPCc2ccccc2)cc1
InChIInChI=1S/C14H15P.2ClH.Fe.Pd/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14;;;;/h1-10,15H,11-12H2;2*1H;;/q;;;;+2/p-2
InChIKeyXUPUXVXYLFLLFE-UHFFFAOYSA-L
XLogP5.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.42
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

benzyl(propyl)phosphane
CID 69425003
dichloropalladium;diphenylphosphane;iron
CID 175532989
benzyl(pentadecyl)phosphane
CID 174798233
benzyl(3-methylbut-2-enyl)phosphane
CID 67468071
bis(benzyl(diphenyl)phosphane);dichloropalladium
CID 134992154
benzyl(bromo)phosphane;bromophosphane
CID 139821861
CID 16688772
CID 16688772
benzyl(2,4-difluorobutyl)phosphane
CID 69485778
benzyl(pentadecyl)phosphane;hydrobromide
CID 174798232
benzyl-(4-chlorophenyl)phosphane
CID 174672119
benzyl(trifluoromethyl)phosphane
CID 21096687
N-benzylphosphanylmethanamine
CID 5035277

Frequently Asked Questions

What is the IUPAC name of dibenzylphosphane;dichloropalladium;iron?
The IUPAC name of dibenzylphosphane;dichloropalladium;iron (CID 175421124) is dibenzylphosphane;dichloropalladium;iron.
What is the SMILES notation for dibenzylphosphane;dichloropalladium;iron?
The canonical SMILES for dibenzylphosphane;dichloropalladium;iron is Cl[Pd]Cl.[Fe].c1ccc(CPCc2ccccc2)cc1.
What is the InChIKey of dibenzylphosphane;dichloropalladium;iron?
The InChIKey is XUPUXVXYLFLLFE-UHFFFAOYSA-L. The full InChI is InChI=1S/C14H15P.2ClH.Fe.Pd/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14;;;;/h1-10,15H,11-12H2;2*1H;;/q;;;;+2/p-2.
What are the key properties of dibenzylphosphane;dichloropalladium;iron?
dibenzylphosphane;dichloropalladium;iron has a molecular weight of 447.42 g/mol, XLogP of 5.44, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzylphosphane;dichloropalladium;iron is sourced from PubChem (CID 175421124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).