2,3,5-tris[diphenyl(prop-2-enyl)silyl]-4-phenylcyclopenta-2,4-dien-1-one

C56H50OSi3 — CID 134977266

IUPAC2,3,5-tris[diphenyl(prop-2-enyl)silyl]-4-phenylcyclopenta-2,4-dien-1-one
SMILESC=CC[Si](C1=C(c2ccccc2)C([Si](CC=C)(c2ccccc2)c2ccccc2)=C([Si](CC=C)(c2ccccc2)c2ccccc2)C1=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C56H50OSi3/c1-4-42-58(46-30-16-8-17-31-46,47-32-18-9-19-33-47)54-52(45-28-14-7-15-29-45)55(59(43-5-2,48-34-20-10-21-35-48)49-36-22-11-23-37-49)56(53(54)57)60(44-6-3,50-38-24-12-25-39-50)51-40-26-13-27-41-51/h4-41H,1-3,42-44H2
InChIKeyFZHZSVSQBKZEKW-UHFFFAOYSA-N
MW823.27 g/mol
LogP9.28
Rot. Bonds16

About 2,3,5-tris[diphenyl(prop-2-enyl)silyl]-4-phenylcyclopenta-2,4-dien-1-one

2,3,5-tris[diphenyl(prop-2-enyl)silyl]-4-phenylcyclopenta-2,4-dien-1-one (PubChem CID 134977266) has the molecular formula C56H50OSi3 and a molecular weight of 823.27 g/mol. Its IUPAC name is 2,3,5-tris[diphenyl(prop-2-enyl)silyl]-4-phenylcyclopenta-2,4-dien-1-one.

Molecular Properties

Compound Name2,3,5-tris[diphenyl(prop-2-enyl)silyl]-4-phenylcyclopenta-2,4-dien-1-one
PubChem CID134977266
Molecular FormulaC56H50OSi3
Molecular Weight823.27 g/mol
Exact Mass822.32
IUPAC Name2,3,5-tris[diphenyl(prop-2-enyl)silyl]-4-phenylcyclopenta-2,4-dien-1-one
SMILESC=CC[Si](C1=C(c2ccccc2)C([Si](CC=C)(c2ccccc2)c2ccccc2)=C([Si](CC=C)(c2ccccc2)c2ccccc2)C1=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C56H50OSi3/c1-4-42-58(46-30-16-8-17-31-46,47-32-18-9-19-33-47)54-52(45-28-14-7-15-29-45)55(59(43-5-2,48-34-20-10-21-35-48)49-36-22-11-23-37-49)56(53(54)57)60(44-6-3,50-38-24-12-25-39-50)51-40-26-13-27-41-51/h4-41H,1-3,42-44H2
InChIKeyFZHZSVSQBKZEKW-UHFFFAOYSA-N
XLogP9.28
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500823.27
LogP ≤ 59.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,3,5-tris[diphenyl(prop-2-enyl)silyl]-4-phenylcyclopenta-2,4-dien-1-one 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

Bis(dibenzylideneacetone)palladium
CID 9811564
Tris(dibenzylideneacetone) dipalladium
CID 9832798
Tris(dibenzylideneacetone)platinum(0)
CID 54768455
1,5-Diphenylpenta-1,4-dien-3-one
CID 157881154
(E)-3-phenyl-1-triphenylsilylprop-2-en-1-one
CID 15033620
(2E,4E)-5-phenyl-1-triphenylsilylpenta-2,4-dien-1-one
CID 15681857
1-Methyl-1-(1-methyl-2,3,4,5-tetraphenylsilol-1-yl)-2,3,4,5-tetraphenylsilole
CID 101737078
Hexabenzyldisilane
CID 4650468
Bis[tris(dibenzylideneacetone)palladium(0)]
CID 9897285
Pt2(dba)3
CID 10931176
Di-palladium tetrakis-(dibenzylidene acetone)
CID 11615059
Pd2(dba)3-dba
CID 11982065

Frequently Asked Questions

What is the IUPAC name of 2,3,5-tris[diphenyl(prop-2-enyl)silyl]-4-phenylcyclopenta-2,4-dien-1-one?
The IUPAC name of 2,3,5-tris[diphenyl(prop-2-enyl)silyl]-4-phenylcyclopenta-2,4-dien-1-one (CID 134977266) is 2,3,5-tris[diphenyl(prop-2-enyl)silyl]-4-phenylcyclopenta-2,4-dien-1-one.
What is the SMILES notation for 2,3,5-tris[diphenyl(prop-2-enyl)silyl]-4-phenylcyclopenta-2,4-dien-1-one?
The canonical SMILES for 2,3,5-tris[diphenyl(prop-2-enyl)silyl]-4-phenylcyclopenta-2,4-dien-1-one is C=CC[Si](C1=C(c2ccccc2)C([Si](CC=C)(c2ccccc2)c2ccccc2)=C([Si](CC=C)(c2ccccc2)c2ccccc2)C1=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2,3,5-tris[diphenyl(prop-2-enyl)silyl]-4-phenylcyclopenta-2,4-dien-1-one?
The InChIKey is FZHZSVSQBKZEKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H50OSi3/c1-4-42-58(46-30-16-8-17-31-46,47-32-18-9-19-33-47)54-52(45-28-14-7-15-29-45)55(59(43-5-2,48-34-20-10-21-35-48)49-36-22-11-23-37-49)56(53(54)57)60(44-6-3,50-38-24-12-25-39-50)51-40-26-13-27-41-51/h4-41H,1-3,42-44H2.
What are the key properties of 2,3,5-tris[diphenyl(prop-2-enyl)silyl]-4-phenylcyclopenta-2,4-dien-1-one?
2,3,5-tris[diphenyl(prop-2-enyl)silyl]-4-phenylcyclopenta-2,4-dien-1-one has a molecular weight of 823.27 g/mol, XLogP of 9.28, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-tris[diphenyl(prop-2-enyl)silyl]-4-phenylcyclopenta-2,4-dien-1-one is sourced from PubChem (CID 134977266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).