chloroform;(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;bis(palladium)

C18H15Cl3OPd2 — CID 102565376

IUPACchloroform;(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;bis(palladium)
SMILESClC(Cl)Cl.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.[Pd].[Pd]
InChIInChI=1S/C17H14O.CHCl3.2Pd/c18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16;2-1(3)4;;/h1-14H;1H;;/b13-11+,14-12+;;;
InChIKeyNLYJPAJWGANOKG-CXKPDERJSA-N
MW566.52 g/mol
LogP5.96
Rot. Bonds4

About chloroform;(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;bis(palladium)

chloroform;(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;bis(palladium) (PubChem CID 102565376) has the molecular formula C18H15Cl3OPd2 and a molecular weight of 566.52 g/mol. Its IUPAC name is chloroform;(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;bis(palladium).

Molecular Properties

Compound Namechloroform;(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;bis(palladium)
PubChem CID102565376
Molecular FormulaC18H15Cl3OPd2
Molecular Weight566.52 g/mol
Exact Mass563.83
IUPAC Namechloroform;(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;bis(palladium)
SMILESClC(Cl)Cl.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.[Pd].[Pd]
InChIInChI=1S/C17H14O.CHCl3.2Pd/c18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16;2-1(3)4;;/h1-14H;1H;;/b13-11+,14-12+;;;
InChIKeyNLYJPAJWGANOKG-CXKPDERJSA-N
XLogP5.96
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.52
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

chloroform;tris(1,5-diphenylpenta-1,4-dien-3-one);palladium
CID 24983555
(1Z,4Z)-1,5-diphenylpenta-1,4-dien-3-one;(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;palladium
CID 154825040
tris((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);bis(palladium)
CID 140752753
(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one
CID 157206787
carbanide;bis((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);palladium(2+)
CID 161273372
1,5-diphenylpenta-1,4-dien-3-one;hydrochloride
CID 70139846
azane;1,5-diphenylpenta-1,4-dien-3-one
CID 172776077
cesium;carbonic acid;tris(1,5-diphenylpenta-1,4-dien-3-one);hydride;bis(palladium)
CID 174910906
chloroform;tris((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);4-diphenylphosphanylbutyl(diphenyl)phosphane;bis(palladium)
CID 11982125
(4E)-1,5-diphenylpenta-1,4-dien-3-one;propan-2-one
CID 158678637
(1Z,4E)-1-hydroxy-5-phenylpenta-1,4-dien-3-one
CID 12748773
(2E,5E)-4-oxo-6-phenylhexa-2,5-dienoic acid
CID 14270149

Frequently Asked Questions

What is the IUPAC name of chloroform;(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;bis(palladium)?
The IUPAC name of chloroform;(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;bis(palladium) (CID 102565376) is chloroform;(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;bis(palladium).
What is the SMILES notation for chloroform;(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;bis(palladium)?
The canonical SMILES for chloroform;(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;bis(palladium) is ClC(Cl)Cl.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.[Pd].[Pd].
What is the InChIKey of chloroform;(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;bis(palladium)?
The InChIKey is NLYJPAJWGANOKG-CXKPDERJSA-N. The full InChI is InChI=1S/C17H14O.CHCl3.2Pd/c18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16;2-1(3)4;;/h1-14H;1H;;/b13-11+,14-12+;;;.
What are the key properties of chloroform;(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;bis(palladium)?
chloroform;(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;bis(palladium) has a molecular weight of 566.52 g/mol, XLogP of 5.96, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloroform;(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;bis(palladium) is sourced from PubChem (CID 102565376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).