dichloropalladium;bis(4-dicyclohexylphosphanyl-N,N-dimethylaniline)

C40H64Cl2N2P2Pd — CID 71317458

IUPACdichloropalladium;bis(4-dicyclohexylphosphanyl-N,N-dimethylaniline)
SMILESCN(C)c1ccc(P(C2CCCCC2)C2CCCCC2)cc1.CN(C)c1ccc(P(C2CCCCC2)C2CCCCC2)cc1.Cl[Pd]Cl
InChIInChI=1S/2C20H32NP.2ClH.Pd/c2*1-21(2)17-13-15-20(16-14-17)22(18-9-5-3-6-10-18)19-11-7-4-8-12-19;;;/h2*13-16,18-19H,3-12H2,1-2H3;2*1H;/q;;;;+2/p-2
InChIKeyFASFJCMBLNNDNL-UHFFFAOYSA-L
MW812.24 g/mol
LogP12.43
Rot. Bonds8

About dichloropalladium;bis(4-dicyclohexylphosphanyl-N,N-dimethylaniline)

dichloropalladium;bis(4-dicyclohexylphosphanyl-N,N-dimethylaniline) (PubChem CID 71317458) has the molecular formula C40H64Cl2N2P2Pd and a molecular weight of 812.24 g/mol. Its IUPAC name is dichloropalladium;bis(4-dicyclohexylphosphanyl-N,N-dimethylaniline).

Molecular Properties

Compound Namedichloropalladium;bis(4-dicyclohexylphosphanyl-N,N-dimethylaniline)
PubChem CID71317458
Molecular FormulaC40H64Cl2N2P2Pd
Molecular Weight812.24 g/mol
Exact Mass810.30
IUPAC Namedichloropalladium;bis(4-dicyclohexylphosphanyl-N,N-dimethylaniline)
SMILESCN(C)c1ccc(P(C2CCCCC2)C2CCCCC2)cc1.CN(C)c1ccc(P(C2CCCCC2)C2CCCCC2)cc1.Cl[Pd]Cl
InChIInChI=1S/2C20H32NP.2ClH.Pd/c2*1-21(2)17-13-15-20(16-14-17)22(18-9-5-3-6-10-18)19-11-7-4-8-12-19;;;/h2*13-16,18-19H,3-12H2,1-2H3;2*1H;/q;;;;+2/p-2
InChIKeyFASFJCMBLNNDNL-UHFFFAOYSA-L
XLogP12.43
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500812.24
LogP ≤ 512.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dichloropalladium;bis(4-dicyclohexylphosphanyl-N,N-dimethylaniline)?
The IUPAC name of dichloropalladium;bis(4-dicyclohexylphosphanyl-N,N-dimethylaniline) (CID 71317458) is dichloropalladium;bis(4-dicyclohexylphosphanyl-N,N-dimethylaniline).
What is the SMILES notation for dichloropalladium;bis(4-dicyclohexylphosphanyl-N,N-dimethylaniline)?
The canonical SMILES for dichloropalladium;bis(4-dicyclohexylphosphanyl-N,N-dimethylaniline) is CN(C)c1ccc(P(C2CCCCC2)C2CCCCC2)cc1.CN(C)c1ccc(P(C2CCCCC2)C2CCCCC2)cc1.Cl[Pd]Cl.
What is the InChIKey of dichloropalladium;bis(4-dicyclohexylphosphanyl-N,N-dimethylaniline)?
The InChIKey is FASFJCMBLNNDNL-UHFFFAOYSA-L. The full InChI is InChI=1S/2C20H32NP.2ClH.Pd/c2*1-21(2)17-13-15-20(16-14-17)22(18-9-5-3-6-10-18)19-11-7-4-8-12-19;;;/h2*13-16,18-19H,3-12H2,1-2H3;2*1H;/q;;;;+2/p-2.
What are the key properties of dichloropalladium;bis(4-dicyclohexylphosphanyl-N,N-dimethylaniline)?
dichloropalladium;bis(4-dicyclohexylphosphanyl-N,N-dimethylaniline) has a molecular weight of 812.24 g/mol, XLogP of 12.43, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dichloropalladium;bis(4-dicyclohexylphosphanyl-N,N-dimethylaniline) is sourced from PubChem (CID 71317458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).