palladium(2+);phenyl(3-phenylphosphanylpropyl)phosphane;dibromide

C15H18Br2P2Pd — CID 18446087

IUPACpalladium(2+);phenyl(3-phenylphosphanylpropyl)phosphane;dibromide
SMILES[Br-].[Br-].[Pd+2].c1ccc(PCCCPc2ccccc2)cc1
InChIInChI=1S/C15H18P2.2BrH.Pd/c1-3-8-14(9-4-1)16-12-7-13-17-15-10-5-2-6-11-15;;;/h1-6,8-11,16-17H,7,12-13H2;2*1H;/q;;;+2/p-2
InChIKeyXOJRSYUOMOHZLU-UHFFFAOYSA-L
MW526.49 g/mol
LogP-2.61
Rot. Bonds6

About palladium(2+);phenyl(3-phenylphosphanylpropyl)phosphane;dibromide

palladium(2+);phenyl(3-phenylphosphanylpropyl)phosphane;dibromide (PubChem CID 18446087) has the molecular formula C15H18Br2P2Pd and a molecular weight of 526.49 g/mol. Its IUPAC name is palladium(2+);phenyl(3-phenylphosphanylpropyl)phosphane;dibromide.

Molecular Properties

Compound Namepalladium(2+);phenyl(3-phenylphosphanylpropyl)phosphane;dibromide
PubChem CID18446087
Molecular FormulaC15H18Br2P2Pd
Molecular Weight526.49 g/mol
Exact Mass523.83
IUPAC Namepalladium(2+);phenyl(3-phenylphosphanylpropyl)phosphane;dibromide
SMILES[Br-].[Br-].[Pd+2].c1ccc(PCCCPc2ccccc2)cc1
InChIInChI=1S/C15H18P2.2BrH.Pd/c1-3-8-14(9-4-1)16-12-7-13-17-15-10-5-2-6-11-15;;;/h1-6,8-11,16-17H,7,12-13H2;2*1H;/q;;;+2/p-2
InChIKeyXOJRSYUOMOHZLU-UHFFFAOYSA-L
XLogP-2.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.49
LogP ≤ 5-2.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

hexadecyl(phenyl)phosphane
CID 23361411
nonyl(phenyl)phosphane
CID 69424973
hexyl(phenyl)phosphane;dihydrochloride
CID 175399433
triphenyl(9-phenylphosphanylnonyl)phosphanium
CID 90048774
6-phenylphosphanylhexanoic acid
CID 159172711
butyl(phenyl)phosphane;cyanamide
CID 139534681
2-(2-phenylphosphanylethoxy)ethanol
CID 23386929
CID 16688772
CID 16688772
2-(1,3-dioxolan-2-yl)ethyl-phenylphosphane
CID 101016232
ethyl-oxo-(2-phenylphosphanylethyl)phosphanium
CID 23566003
ethyl-(2-phenylphosphanylethyl)-sulfanylidenephosphanium
CID 23566001
4-(2-phenylethylphosphanyl)phenol
CID 150809826

Frequently Asked Questions

What is the IUPAC name of palladium(2+);phenyl(3-phenylphosphanylpropyl)phosphane;dibromide?
The IUPAC name of palladium(2+);phenyl(3-phenylphosphanylpropyl)phosphane;dibromide (CID 18446087) is palladium(2+);phenyl(3-phenylphosphanylpropyl)phosphane;dibromide.
What is the SMILES notation for palladium(2+);phenyl(3-phenylphosphanylpropyl)phosphane;dibromide?
The canonical SMILES for palladium(2+);phenyl(3-phenylphosphanylpropyl)phosphane;dibromide is [Br-].[Br-].[Pd+2].c1ccc(PCCCPc2ccccc2)cc1.
What is the InChIKey of palladium(2+);phenyl(3-phenylphosphanylpropyl)phosphane;dibromide?
The InChIKey is XOJRSYUOMOHZLU-UHFFFAOYSA-L. The full InChI is InChI=1S/C15H18P2.2BrH.Pd/c1-3-8-14(9-4-1)16-12-7-13-17-15-10-5-2-6-11-15;;;/h1-6,8-11,16-17H,7,12-13H2;2*1H;/q;;;+2/p-2.
What are the key properties of palladium(2+);phenyl(3-phenylphosphanylpropyl)phosphane;dibromide?
palladium(2+);phenyl(3-phenylphosphanylpropyl)phosphane;dibromide has a molecular weight of 526.49 g/mol, XLogP of -2.61, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for palladium(2+);phenyl(3-phenylphosphanylpropyl)phosphane;dibromide is sourced from PubChem (CID 18446087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).