butan-2-yl(diphenyl)phosphane;diphenylphosphanide;palladium(2+);chloride

C28H29ClP2Pd — CID 52987630

IUPACbutan-2-yl(diphenyl)phosphane;diphenylphosphanide;palladium(2+);chloride
SMILESCCC(C)P(c1ccccc1)c1ccccc1.[Cl-].[Pd+2].c1ccc([P-]c2ccccc2)cc1
InChIInChI=1S/C16H19P.C12H10P.ClH.Pd/c1-3-14(2)17(15-10-6-4-7-11-15)16-12-8-5-9-13-16;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;;/h4-14H,3H2,1-2H3;1-10H;1H;/q;-1;;+2/p-1
InChIKeyWCTRMVZCSUMBIZ-UHFFFAOYSA-M
MW569.36 g/mol
LogP3.50
Rot. Bonds6

About butan-2-yl(diphenyl)phosphane;diphenylphosphanide;palladium(2+);chloride

butan-2-yl(diphenyl)phosphane;diphenylphosphanide;palladium(2+);chloride (PubChem CID 52987630) has the molecular formula C28H29ClP2Pd and a molecular weight of 569.36 g/mol. Its IUPAC name is butan-2-yl(diphenyl)phosphane;diphenylphosphanide;palladium(2+);chloride.

Molecular Properties

Compound Namebutan-2-yl(diphenyl)phosphane;diphenylphosphanide;palladium(2+);chloride
PubChem CID52987630
Molecular FormulaC28H29ClP2Pd
Molecular Weight569.36 g/mol
Exact Mass568.05
IUPAC Namebutan-2-yl(diphenyl)phosphane;diphenylphosphanide;palladium(2+);chloride
SMILESCCC(C)P(c1ccccc1)c1ccccc1.[Cl-].[Pd+2].c1ccc([P-]c2ccccc2)cc1
InChIInChI=1S/C16H19P.C12H10P.ClH.Pd/c1-3-14(2)17(15-10-6-4-7-11-15)16-12-8-5-9-13-16;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;;/h4-14H,3H2,1-2H3;1-10H;1H;/q;-1;;+2/p-1
InChIKeyWCTRMVZCSUMBIZ-UHFFFAOYSA-M
XLogP3.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500569.36
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butan-2-yl(diphenyl)phosphane;diphenylphosphanide;palladium(2+);chloride?
The IUPAC name of butan-2-yl(diphenyl)phosphane;diphenylphosphanide;palladium(2+);chloride (CID 52987630) is butan-2-yl(diphenyl)phosphane;diphenylphosphanide;palladium(2+);chloride.
What is the SMILES notation for butan-2-yl(diphenyl)phosphane;diphenylphosphanide;palladium(2+);chloride?
The canonical SMILES for butan-2-yl(diphenyl)phosphane;diphenylphosphanide;palladium(2+);chloride is CCC(C)P(c1ccccc1)c1ccccc1.[Cl-].[Pd+2].c1ccc([P-]c2ccccc2)cc1.
What is the InChIKey of butan-2-yl(diphenyl)phosphane;diphenylphosphanide;palladium(2+);chloride?
The InChIKey is WCTRMVZCSUMBIZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H19P.C12H10P.ClH.Pd/c1-3-14(2)17(15-10-6-4-7-11-15)16-12-8-5-9-13-16;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;;/h4-14H,3H2,1-2H3;1-10H;1H;/q;-1;;+2/p-1.
What are the key properties of butan-2-yl(diphenyl)phosphane;diphenylphosphanide;palladium(2+);chloride?
butan-2-yl(diphenyl)phosphane;diphenylphosphanide;palladium(2+);chloride has a molecular weight of 569.36 g/mol, XLogP of 3.50, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yl(diphenyl)phosphane;diphenylphosphanide;palladium(2+);chloride is sourced from PubChem (CID 52987630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).