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

C52H43Cl3O3Pd — CID 24983555

IUPACchloroform;tris(1,5-diphenylpenta-1,4-dien-3-one);palladium
SMILESClC(Cl)Cl.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[Pd]
InChIInChI=1S/3C17H14O.CHCl3.Pd/c3*18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16;2-1(3)4;/h3*1-14H;1H;
InChIKeyMWALGZOQJHYNBG-UHFFFAOYSA-N
MW928.69 g/mol
LogP13.93
Rot. Bonds12

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

chloroform;tris(1,5-diphenylpenta-1,4-dien-3-one);palladium (PubChem CID 24983555) has the molecular formula C52H43Cl3O3Pd and a molecular weight of 928.69 g/mol. Its IUPAC name is chloroform;tris(1,5-diphenylpenta-1,4-dien-3-one);palladium.

Molecular Properties

Compound Namechloroform;tris(1,5-diphenylpenta-1,4-dien-3-one);palladium
PubChem CID24983555
Molecular FormulaC52H43Cl3O3Pd
Molecular Weight928.69 g/mol
Exact Mass926.13
IUPAC Namechloroform;tris(1,5-diphenylpenta-1,4-dien-3-one);palladium
SMILESClC(Cl)Cl.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[Pd]
InChIInChI=1S/3C17H14O.CHCl3.Pd/c3*18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16;2-1(3)4;/h3*1-14H;1H;
InChIKeyMWALGZOQJHYNBG-UHFFFAOYSA-N
XLogP13.93
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500928.69
LogP ≤ 513.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze chloroform;tris(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

chloroform;(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;bis(palladium)
CID 102565376
tris((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);bis(palladium)
CID 140752753
(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((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
(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

Frequently Asked Questions

What is the IUPAC name of chloroform;tris(1,5-diphenylpenta-1,4-dien-3-one);palladium?
The IUPAC name of chloroform;tris(1,5-diphenylpenta-1,4-dien-3-one);palladium (CID 24983555) is chloroform;tris(1,5-diphenylpenta-1,4-dien-3-one);palladium.
What is the SMILES notation for chloroform;tris(1,5-diphenylpenta-1,4-dien-3-one);palladium?
The canonical SMILES for chloroform;tris(1,5-diphenylpenta-1,4-dien-3-one);palladium is ClC(Cl)Cl.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[Pd].
What is the InChIKey of chloroform;tris(1,5-diphenylpenta-1,4-dien-3-one);palladium?
The InChIKey is MWALGZOQJHYNBG-UHFFFAOYSA-N. The full InChI is InChI=1S/3C17H14O.CHCl3.Pd/c3*18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16;2-1(3)4;/h3*1-14H;1H;.
What are the key properties of chloroform;tris(1,5-diphenylpenta-1,4-dien-3-one);palladium?
chloroform;tris(1,5-diphenylpenta-1,4-dien-3-one);palladium has a molecular weight of 928.69 g/mol, XLogP of 13.93, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chloroform;tris(1,5-diphenylpenta-1,4-dien-3-one);palladium is sourced from PubChem (CID 24983555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).