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

C51H42O3Pd2 — CID 140752753

IUPACtris((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);bis(palladium)
SMILESO=C(/C=C\c1ccccc1)/C=C/c1ccccc1.O=C(/C=C\c1ccccc1)/C=C/c1ccccc1.O=C(/C=C\c1ccccc1)/C=C/c1ccccc1.[Pd].[Pd]
InChIInChI=1S/3C17H14O.2Pd/c3*18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16;;/h3*1-14H;;/b3*13-11-,14-12+;;
InChIKeyCYPYTURSJDMMMP-NDLBFMSXSA-N
MW915.73 g/mol
LogP11.94
Rot. Bonds12

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

tris((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);bis(palladium) (PubChem CID 140752753) has the molecular formula C51H42O3Pd2 and a molecular weight of 915.73 g/mol. Its IUPAC name is tris((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);bis(palladium).

Molecular Properties

Compound Nametris((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);bis(palladium)
PubChem CID140752753
Molecular FormulaC51H42O3Pd2
Molecular Weight915.73 g/mol
Exact Mass914.12
IUPAC Nametris((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);bis(palladium)
SMILESO=C(/C=C\c1ccccc1)/C=C/c1ccccc1.O=C(/C=C\c1ccccc1)/C=C/c1ccccc1.O=C(/C=C\c1ccccc1)/C=C/c1ccccc1.[Pd].[Pd]
InChIInChI=1S/3C17H14O.2Pd/c3*18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16;;/h3*1-14H;;/b3*13-11-,14-12+;;
InChIKeyCYPYTURSJDMMMP-NDLBFMSXSA-N
XLogP11.94
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500915.73
LogP ≤ 511.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tris((1E,4E)-1,5-diphenylpenta-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

(1Z,4Z)-1,5-diphenylpenta-1,4-dien-3-one;(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;palladium
CID 154825040
(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(1,5-diphenylpenta-1,4-dien-3-one);palladium
CID 24983555
chloroform;(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;bis(palladium)
CID 102565376
(4E)-1,5-diphenylpenta-1,4-dien-3-one;propan-2-one
CID 158678637
(2E,5E)-4-oxo-6-phenylhexa-2,5-dienoic acid
CID 14270149
(1Z,4E)-1-hydroxy-5-phenylpenta-1,4-dien-3-one
CID 12748773
(1E,4E)-1-(4-methylphenyl)-5-phenylpenta-1,4-dien-3-one
CID 6175900

Frequently Asked Questions

What is the IUPAC name of tris((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);bis(palladium)?
The IUPAC name of tris((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);bis(palladium) (CID 140752753) is tris((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);bis(palladium).
What is the SMILES notation for tris((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);bis(palladium)?
The canonical SMILES for tris((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);bis(palladium) is O=C(/C=C\c1ccccc1)/C=C/c1ccccc1.O=C(/C=C\c1ccccc1)/C=C/c1ccccc1.O=C(/C=C\c1ccccc1)/C=C/c1ccccc1.[Pd].[Pd].
What is the InChIKey of tris((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);bis(palladium)?
The InChIKey is CYPYTURSJDMMMP-NDLBFMSXSA-N. The full InChI is InChI=1S/3C17H14O.2Pd/c3*18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16;;/h3*1-14H;;/b3*13-11-,14-12+;;.
What are the key properties of tris((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);bis(palladium)?
tris((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);bis(palladium) has a molecular weight of 915.73 g/mol, XLogP of 11.94, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);bis(palladium) is sourced from PubChem (CID 140752753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).