1-[4-tris(4-acetylphenyl)silylphenyl]ethanone

C32H28O4Si — CID 149009059

IUPAC1-[4-tris(4-acetylphenyl)silylphenyl]ethanone
SMILESCC(=O)c1ccc([Si](c2ccc(C(C)=O)cc2)(c2ccc(C(C)=O)cc2)c2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C32H28O4Si/c1-21(33)25-5-13-29(14-6-25)37(30-15-7-26(8-16-30)22(2)34,31-17-9-27(10-18-31)23(3)35)32-19-11-28(12-20-32)24(4)36/h5-20H,1-4H3
InChIKeyQBEBETKJXKNSDT-UHFFFAOYSA-N
MW504.66 g/mol
LogP3.87
Rot. Bonds8

About 1-[4-tris(4-acetylphenyl)silylphenyl]ethanone

1-[4-tris(4-acetylphenyl)silylphenyl]ethanone (PubChem CID 149009059) has the molecular formula C32H28O4Si and a molecular weight of 504.66 g/mol. Its IUPAC name is 1-[4-tris(4-acetylphenyl)silylphenyl]ethanone.

Molecular Properties

Compound Name1-[4-tris(4-acetylphenyl)silylphenyl]ethanone
PubChem CID149009059
Molecular FormulaC32H28O4Si
Molecular Weight504.66 g/mol
Exact Mass504.18
IUPAC Name1-[4-tris(4-acetylphenyl)silylphenyl]ethanone
SMILESCC(=O)c1ccc([Si](c2ccc(C(C)=O)cc2)(c2ccc(C(C)=O)cc2)c2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C32H28O4Si/c1-21(33)25-5-13-29(14-6-25)37(30-15-7-26(8-16-30)22(2)34,31-17-9-27(10-18-31)23(3)35)32-19-11-28(12-20-32)24(4)36/h5-20H,1-4H3
InChIKeyQBEBETKJXKNSDT-UHFFFAOYSA-N
XLogP3.87
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.66
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

1-(4-acetylphenyl)ethanone;methane
CID 159515104
1-(4-dimethylsilylphenyl)ethanone
CID 124706896
4-tris(4-carbonochloridoylphenyl)silylbenzoyl chloride
CID 102443939
4-acetyl(11C)benzoic acid
CID 11205952
1-(4-hydroxyphenyl)(211C)ethanone
CID 177408736
1-[4-(dihydroxymethyl)phenyl]ethanone
CID 66714715
1-(4-methylphenyl)ethanone;hydrochloride
CID 172692328
1-(4-hydroxyphenyl)ethanone;phosphane
CID 145192657
1-(4-arsanylphenyl)ethanone
CID 173138956
ethane;1-(4-propan-2-ylphenyl)ethanone
CID 143075063
1-(cyclotetradecaheptaenyl)ethanone
CID 90871438
1-[4-(1-aminoethyl)phenyl]ethanone
CID 45086260

Frequently Asked Questions

What is the IUPAC name of 1-[4-tris(4-acetylphenyl)silylphenyl]ethanone?
The IUPAC name of 1-[4-tris(4-acetylphenyl)silylphenyl]ethanone (CID 149009059) is 1-[4-tris(4-acetylphenyl)silylphenyl]ethanone.
What is the SMILES notation for 1-[4-tris(4-acetylphenyl)silylphenyl]ethanone?
The canonical SMILES for 1-[4-tris(4-acetylphenyl)silylphenyl]ethanone is CC(=O)c1ccc([Si](c2ccc(C(C)=O)cc2)(c2ccc(C(C)=O)cc2)c2ccc(C(C)=O)cc2)cc1.
What is the InChIKey of 1-[4-tris(4-acetylphenyl)silylphenyl]ethanone?
The InChIKey is QBEBETKJXKNSDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28O4Si/c1-21(33)25-5-13-29(14-6-25)37(30-15-7-26(8-16-30)22(2)34,31-17-9-27(10-18-31)23(3)35)32-19-11-28(12-20-32)24(4)36/h5-20H,1-4H3.
What are the key properties of 1-[4-tris(4-acetylphenyl)silylphenyl]ethanone?
1-[4-tris(4-acetylphenyl)silylphenyl]ethanone has a molecular weight of 504.66 g/mol, XLogP of 3.87, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-tris(4-acetylphenyl)silylphenyl]ethanone is sourced from PubChem (CID 149009059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).