1,5-diphenyl-1-trimethylsilylpenta-1,4-dien-3-one;bis(palladium)

C20H22OPd2Si — CID 175858703

IUPAC1,5-diphenyl-1-trimethylsilylpenta-1,4-dien-3-one;bis(palladium)
SMILESC[Si](C)(C)C(=CC(=O)C=Cc1ccccc1)c1ccccc1.[Pd].[Pd]
InChIInChI=1S/C20H22OSi.2Pd/c1-22(2,3)20(18-12-8-5-9-13-18)16-19(21)15-14-17-10-6-4-7-11-17;;/h4-16H,1-3H3;;
InChIKeyZFLYVPJBOIOZDE-UHFFFAOYSA-N
MW519.32 g/mol
LogP5.22
Rot. Bonds5

About 1,5-diphenyl-1-trimethylsilylpenta-1,4-dien-3-one;bis(palladium)

1,5-diphenyl-1-trimethylsilylpenta-1,4-dien-3-one;bis(palladium) (PubChem CID 175858703) has the molecular formula C20H22OPd2Si and a molecular weight of 519.32 g/mol. Its IUPAC name is 1,5-diphenyl-1-trimethylsilylpenta-1,4-dien-3-one;bis(palladium).

Molecular Properties

Compound Name1,5-diphenyl-1-trimethylsilylpenta-1,4-dien-3-one;bis(palladium)
PubChem CID175858703
Molecular FormulaC20H22OPd2Si
Molecular Weight519.32 g/mol
Exact Mass517.95
IUPAC Name1,5-diphenyl-1-trimethylsilylpenta-1,4-dien-3-one;bis(palladium)
SMILESC[Si](C)(C)C(=CC(=O)C=Cc1ccccc1)c1ccccc1.[Pd].[Pd]
InChIInChI=1S/C20H22OSi.2Pd/c1-22(2,3)20(18-12-8-5-9-13-18)16-19(21)15-14-17-10-6-4-7-11-17;;/h4-16H,1-3H3;;
InChIKeyZFLYVPJBOIOZDE-UHFFFAOYSA-N
XLogP5.22
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.32
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,5-diphenyl-1-trimethylsilylpenta-1,4-dien-3-one;bis(palladium) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Benzylideneacetone
CID 637759
(1E,4E)-1,5-Diphenyl-1,4-pentadien-3-one
CID 640180
4-Phenyl-3-Buten-2-one
CID 15909
Dibenzalacetone, (1Z,4E)-
CID 1549622
Dibenzylidene acetone
CID 95417
(3E,5E)-6-phenylhexa-3,5-dien-2-one
CID 5708783
2,5-Dimethyl-3,4-diphenylcyclopentadienone
CID 141277
1-(4-Methylphenyl)-5-phenyl-1,4-pentadien-3-one
CID 6175900
(1E,6E)-1,7-Diphenylhepta-1,6-Diene-3,5-Dione
CID 5469422
1,5-Diphenyl-pent-1-EN-4-YN-3-one
CID 6294809
Bis-(4-methylstyryl) ketone
CID 6034054
1,9-Diphenylnona-1,3,6,8-tetraen-5-one
CID 101802

Frequently Asked Questions

What is the IUPAC name of 1,5-diphenyl-1-trimethylsilylpenta-1,4-dien-3-one;bis(palladium)?
The IUPAC name of 1,5-diphenyl-1-trimethylsilylpenta-1,4-dien-3-one;bis(palladium) (CID 175858703) is 1,5-diphenyl-1-trimethylsilylpenta-1,4-dien-3-one;bis(palladium).
What is the SMILES notation for 1,5-diphenyl-1-trimethylsilylpenta-1,4-dien-3-one;bis(palladium)?
The canonical SMILES for 1,5-diphenyl-1-trimethylsilylpenta-1,4-dien-3-one;bis(palladium) is C[Si](C)(C)C(=CC(=O)C=Cc1ccccc1)c1ccccc1.[Pd].[Pd].
What is the InChIKey of 1,5-diphenyl-1-trimethylsilylpenta-1,4-dien-3-one;bis(palladium)?
The InChIKey is ZFLYVPJBOIOZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22OSi.2Pd/c1-22(2,3)20(18-12-8-5-9-13-18)16-19(21)15-14-17-10-6-4-7-11-17;;/h4-16H,1-3H3;;.
What are the key properties of 1,5-diphenyl-1-trimethylsilylpenta-1,4-dien-3-one;bis(palladium)?
1,5-diphenyl-1-trimethylsilylpenta-1,4-dien-3-one;bis(palladium) has a molecular weight of 519.32 g/mol, XLogP of 5.22, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-diphenyl-1-trimethylsilylpenta-1,4-dien-3-one;bis(palladium) is sourced from PubChem (CID 175858703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).