bis(N,N-dimethyl-1-(2-methylphenyl)ethanamine);2-diphenylphosphanylethyl(diphenyl)phosphane;bis(palladium(2+));dichloride

C48H58Cl2N2P2Pd2+2 — CID 10418527

IUPACbis(N,N-dimethyl-1-(2-methylphenyl)ethanamine);2-diphenylphosphanylethyl(diphenyl)phosphane;bis(palladium(2+));dichloride
SMILESCc1ccccc1C(C)N(C)C.Cc1ccccc1C(C)N(C)C.[Cl-].[Cl-].[Pd+2].[Pd+2].c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H24P2.2C11H17N.2ClH.2Pd/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;2*1-9-7-5-6-8-11(9)10(2)12(3)4;;;;/h1-20H,21-22H2;2*5-8,10H,1-4H3;2*1H;;/q;;;;;2*+2/p-2
InChIKeyKOLUCSVVNAAGLI-UHFFFAOYSA-L
MW1008.70 g/mol
LogP4.49
Rot. Bonds11

About bis(N,N-dimethyl-1-(2-methylphenyl)ethanamine);2-diphenylphosphanylethyl(diphenyl)phosphane;bis(palladium(2+));dichloride

bis(N,N-dimethyl-1-(2-methylphenyl)ethanamine);2-diphenylphosphanylethyl(diphenyl)phosphane;bis(palladium(2+));dichloride (PubChem CID 10418527) has the molecular formula C48H58Cl2N2P2Pd2+2 and a molecular weight of 1008.70 g/mol. Its IUPAC name is bis(N,N-dimethyl-1-(2-methylphenyl)ethanamine);2-diphenylphosphanylethyl(diphenyl)phosphane;bis(palladium(2+));dichloride.

Molecular Properties

Compound Namebis(N,N-dimethyl-1-(2-methylphenyl)ethanamine);2-diphenylphosphanylethyl(diphenyl)phosphane;bis(palladium(2+));dichloride
PubChem CID10418527
Molecular FormulaC48H58Cl2N2P2Pd2+2
Molecular Weight1008.70 g/mol
Exact Mass1006.15
IUPAC Namebis(N,N-dimethyl-1-(2-methylphenyl)ethanamine);2-diphenylphosphanylethyl(diphenyl)phosphane;bis(palladium(2+));dichloride
SMILESCc1ccccc1C(C)N(C)C.Cc1ccccc1C(C)N(C)C.[Cl-].[Cl-].[Pd+2].[Pd+2].c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H24P2.2C11H17N.2ClH.2Pd/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;2*1-9-7-5-6-8-11(9)10(2)12(3)4;;;;/h1-20H,21-22H2;2*5-8,10H,1-4H3;2*1H;;/q;;;;;2*+2/p-2
InChIKeyKOLUCSVVNAAGLI-UHFFFAOYSA-L
XLogP4.49
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms56
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5001008.70
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 10930139
CID 10930139
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CID 123216377
(1S)-N,N-dimethyl-1-(2-methylselanylphenyl)ethanamine
CID 134865644
2-(4,5-dimethylphosphinin-2-yl)-4,5-dimethylphosphinine;2-diphenylphosphanylethyl(diphenyl)phosphane;nickel
CID 15836530
N'-methyl-N'-[1-(2-methylphenyl)ethyl]propane-1,3-diamine
CID 115318732
(2,6-dimethylphenyl)methyl-diphenylphosphane
CID 130461808
(2-methylphenyl)-[3-[(2-methylphenyl)-phenylphosphanyl]propyl]-phenylphosphane
CID 18962661

Frequently Asked Questions

What is the IUPAC name of bis(N,N-dimethyl-1-(2-methylphenyl)ethanamine);2-diphenylphosphanylethyl(diphenyl)phosphane;bis(palladium(2+));dichloride?
The IUPAC name of bis(N,N-dimethyl-1-(2-methylphenyl)ethanamine);2-diphenylphosphanylethyl(diphenyl)phosphane;bis(palladium(2+));dichloride (CID 10418527) is bis(N,N-dimethyl-1-(2-methylphenyl)ethanamine);2-diphenylphosphanylethyl(diphenyl)phosphane;bis(palladium(2+));dichloride.
What is the SMILES notation for bis(N,N-dimethyl-1-(2-methylphenyl)ethanamine);2-diphenylphosphanylethyl(diphenyl)phosphane;bis(palladium(2+));dichloride?
The canonical SMILES for bis(N,N-dimethyl-1-(2-methylphenyl)ethanamine);2-diphenylphosphanylethyl(diphenyl)phosphane;bis(palladium(2+));dichloride is Cc1ccccc1C(C)N(C)C.Cc1ccccc1C(C)N(C)C.[Cl-].[Cl-].[Pd+2].[Pd+2].c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of bis(N,N-dimethyl-1-(2-methylphenyl)ethanamine);2-diphenylphosphanylethyl(diphenyl)phosphane;bis(palladium(2+));dichloride?
The InChIKey is KOLUCSVVNAAGLI-UHFFFAOYSA-L. The full InChI is InChI=1S/C26H24P2.2C11H17N.2ClH.2Pd/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;2*1-9-7-5-6-8-11(9)10(2)12(3)4;;;;/h1-20H,21-22H2;2*5-8,10H,1-4H3;2*1H;;/q;;;;;2*+2/p-2.
What are the key properties of bis(N,N-dimethyl-1-(2-methylphenyl)ethanamine);2-diphenylphosphanylethyl(diphenyl)phosphane;bis(palladium(2+));dichloride?
bis(N,N-dimethyl-1-(2-methylphenyl)ethanamine);2-diphenylphosphanylethyl(diphenyl)phosphane;bis(palladium(2+));dichloride has a molecular weight of 1008.70 g/mol, XLogP of 4.49, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N,N-dimethyl-1-(2-methylphenyl)ethanamine);2-diphenylphosphanylethyl(diphenyl)phosphane;bis(palladium(2+));dichloride is sourced from PubChem (CID 10418527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).