3-benzyl-4-phenyl-1-triphenylsilylbutan-1-one

C35H32OSi — CID 11984086

IUPAC3-benzyl-4-phenyl-1-triphenylsilylbutan-1-one
SMILESO=C(CC(Cc1ccccc1)Cc1ccccc1)[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C35H32OSi/c36-35(28-31(26-29-16-6-1-7-17-29)27-30-18-8-2-9-19-30)37(32-20-10-3-11-21-32,33-22-12-4-13-23-33)34-24-14-5-15-25-34/h1-25,31H,26-28H2
InChIKeyZIXPHFGZCJRUIE-UHFFFAOYSA-N
MW496.73 g/mol
LogP5.76
Rot. Bonds10

About 3-benzyl-4-phenyl-1-triphenylsilylbutan-1-one

3-benzyl-4-phenyl-1-triphenylsilylbutan-1-one (PubChem CID 11984086) has the molecular formula C35H32OSi and a molecular weight of 496.73 g/mol. Its IUPAC name is 3-benzyl-4-phenyl-1-triphenylsilylbutan-1-one.

Molecular Properties

Compound Name3-benzyl-4-phenyl-1-triphenylsilylbutan-1-one
PubChem CID11984086
Molecular FormulaC35H32OSi
Molecular Weight496.73 g/mol
Exact Mass496.22
IUPAC Name3-benzyl-4-phenyl-1-triphenylsilylbutan-1-one
SMILESO=C(CC(Cc1ccccc1)Cc1ccccc1)[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C35H32OSi/c36-35(28-31(26-29-16-6-1-7-17-29)27-30-18-8-2-9-19-30)37(32-20-10-3-11-21-32,33-22-12-4-13-23-33)34-24-14-5-15-25-34/h1-25,31H,26-28H2
InChIKeyZIXPHFGZCJRUIE-UHFFFAOYSA-N
XLogP5.76
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.73
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

1,1,3,3-Tetraphenyl-propan-2-one
CID 344787
4,4'',4'''',4''''''-Silanetetrayltetrakis(1,1'-biphenyl)
CID 76878
Phenyl(triphenylsilyl)methanone
CID 3522576
Tribiphenyl-4-yl(phenyl)silane
CID 233885
1,1,1,6,6,6-Hexaphenyl-hexane-2,5-dione
CID 5222385
5,6,7,8-tetraphenyl-3,4,4a,8a-tetrahydro-2H-naphthalen-1-one
CID 10837354
trans-(3R,5S)-3-[dimethyl(phenyl)silyl]-5-phenylcyclohexan-1-one
CID 127260673
1,3-Bis(3,5-diphenylphenyl)propan-2-one
CID 15524959
Trityl ketone
CID 54415738
Tetra-3-biphenylylsilan
CID 129656817
Tetrabiphenylylsilane
CID 145852982
Dibenzhydryldiphenylsilane
CID 425013

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-4-phenyl-1-triphenylsilylbutan-1-one?
The IUPAC name of 3-benzyl-4-phenyl-1-triphenylsilylbutan-1-one (CID 11984086) is 3-benzyl-4-phenyl-1-triphenylsilylbutan-1-one.
What is the SMILES notation for 3-benzyl-4-phenyl-1-triphenylsilylbutan-1-one?
The canonical SMILES for 3-benzyl-4-phenyl-1-triphenylsilylbutan-1-one is O=C(CC(Cc1ccccc1)Cc1ccccc1)[Si](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-benzyl-4-phenyl-1-triphenylsilylbutan-1-one?
The InChIKey is ZIXPHFGZCJRUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H32OSi/c36-35(28-31(26-29-16-6-1-7-17-29)27-30-18-8-2-9-19-30)37(32-20-10-3-11-21-32,33-22-12-4-13-23-33)34-24-14-5-15-25-34/h1-25,31H,26-28H2.
What are the key properties of 3-benzyl-4-phenyl-1-triphenylsilylbutan-1-one?
3-benzyl-4-phenyl-1-triphenylsilylbutan-1-one has a molecular weight of 496.73 g/mol, XLogP of 5.76, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-4-phenyl-1-triphenylsilylbutan-1-one is sourced from PubChem (CID 11984086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).