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'}

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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).