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

C34H28O2Pd — CID 6505921

IUPACbis((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);palladium
SMILESO=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.[Pd]
InChIInChI=1S/2C17H14O.Pd/c2*18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16;/h2*1-14H;/b2*13-11+,14-12+;
InChIKeyUKSZBOKPHAQOMP-SVLSSHOZSA-N
MW575.02 g/mol
LogP7.96
Rot. Bonds8

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

bis((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);palladium (PubChem CID 6505921) has the molecular formula C34H28O2Pd and a molecular weight of 575.02 g/mol. Its IUPAC name is bis((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);palladium.

Molecular Properties

Compound Namebis((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);palladium
PubChem CID6505921
Molecular FormulaC34H28O2Pd
Molecular Weight575.02 g/mol
Exact Mass574.11
IUPAC Namebis((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);palladium
SMILESO=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.[Pd]
InChIInChI=1S/2C17H14O.Pd/c2*18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16;/h2*1-14H;/b2*13-11+,14-12+;
InChIKeyUKSZBOKPHAQOMP-SVLSSHOZSA-N
XLogP7.96
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.02
LogP ≤ 57.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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

CID 640180
CID 640180
CID 1550330
CID 1550330
CID 1549622
CID 1549622
CID 9811564
CID 9811564
CID 95417
CID 95417
CID 154270
CID 154270
CID 95336
CID 95336
CID 5469422
CID 5469422
CID 101802
CID 101802
CID 11029508
CID 11029508
CID 58769124
CID 58769124
CID 5714140
CID 5714140

Frequently Asked Questions

What is the IUPAC name of bis((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);palladium?
The IUPAC name of bis((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);palladium (CID 6505921) is bis((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);palladium.
What is the SMILES notation for bis((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);palladium?
The canonical SMILES for bis((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);palladium is O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.[Pd].
What is the InChIKey of bis((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);palladium?
The InChIKey is UKSZBOKPHAQOMP-SVLSSHOZSA-N. The full InChI is InChI=1S/2C17H14O.Pd/c2*18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16;/h2*1-14H;/b2*13-11+,14-12+;.
What are the key properties of bis((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);palladium?
bis((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);palladium has a molecular weight of 575.02 g/mol, XLogP of 7.96, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);palladium is sourced from PubChem (CID 6505921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).