bis(4-ditert-butylphosphanyl-N,N-dimethylaniline);palladium

C32H56N2P2Pd — CID 46900632

IUPACbis(4-ditert-butylphosphanyl-N,N-dimethylaniline);palladium
SMILESCN(C)c1ccc(P(C(C)(C)C)C(C)(C)C)cc1.CN(C)c1ccc(P(C(C)(C)C)C(C)(C)C)cc1.[Pd]
InChIInChI=1S/2C16H28NP.Pd/c2*1-15(2,3)18(16(4,5)6)14-11-9-13(10-12-14)17(7)8;/h2*9-12H,1-8H3;
InChIKeySSPOQURGNAWORH-UHFFFAOYSA-N
MW637.18 g/mol
LogP8.91
Rot. Bonds4

About bis(4-ditert-butylphosphanyl-N,N-dimethylaniline);palladium

bis(4-ditert-butylphosphanyl-N,N-dimethylaniline);palladium (PubChem CID 46900632) has the molecular formula C32H56N2P2Pd and a molecular weight of 637.18 g/mol. Its IUPAC name is bis(4-ditert-butylphosphanyl-N,N-dimethylaniline);palladium.

Molecular Properties

Compound Namebis(4-ditert-butylphosphanyl-N,N-dimethylaniline);palladium
PubChem CID46900632
Molecular FormulaC32H56N2P2Pd
Molecular Weight637.18 g/mol
Exact Mass636.30
IUPAC Namebis(4-ditert-butylphosphanyl-N,N-dimethylaniline);palladium
SMILESCN(C)c1ccc(P(C(C)(C)C)C(C)(C)C)cc1.CN(C)c1ccc(P(C(C)(C)C)C(C)(C)C)cc1.[Pd]
InChIInChI=1S/2C16H28NP.Pd/c2*1-15(2,3)18(16(4,5)6)14-11-9-13(10-12-14)17(7)8;/h2*9-12H,1-8H3;
InChIKeySSPOQURGNAWORH-UHFFFAOYSA-N
XLogP8.91
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.18
LogP ≤ 58.91
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 bis(4-ditert-butylphosphanyl-N,N-dimethylaniline);palladium?
The IUPAC name of bis(4-ditert-butylphosphanyl-N,N-dimethylaniline);palladium (CID 46900632) is bis(4-ditert-butylphosphanyl-N,N-dimethylaniline);palladium.
What is the SMILES notation for bis(4-ditert-butylphosphanyl-N,N-dimethylaniline);palladium?
The canonical SMILES for bis(4-ditert-butylphosphanyl-N,N-dimethylaniline);palladium is CN(C)c1ccc(P(C(C)(C)C)C(C)(C)C)cc1.CN(C)c1ccc(P(C(C)(C)C)C(C)(C)C)cc1.[Pd].
What is the InChIKey of bis(4-ditert-butylphosphanyl-N,N-dimethylaniline);palladium?
The InChIKey is SSPOQURGNAWORH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H28NP.Pd/c2*1-15(2,3)18(16(4,5)6)14-11-9-13(10-12-14)17(7)8;/h2*9-12H,1-8H3;.
What are the key properties of bis(4-ditert-butylphosphanyl-N,N-dimethylaniline);palladium?
bis(4-ditert-butylphosphanyl-N,N-dimethylaniline);palladium has a molecular weight of 637.18 g/mol, XLogP of 8.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-ditert-butylphosphanyl-N,N-dimethylaniline);palladium is sourced from PubChem (CID 46900632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).