2-[(E)-2-phenyl-1-triethylsilylethenyl]benzonitrile

C21H25NSi — CID 11616724

IUPAC2-[(E)-2-phenyl-1-triethylsilylethenyl]benzonitrile
SMILESCC[Si](CC)(CC)/C(=C/c1ccccc1)c1ccccc1C#N
InChIInChI=1S/C21H25NSi/c1-4-23(5-2,6-3)21(16-18-12-8-7-9-13-18)20-15-11-10-14-19(20)17-22/h7-16H,4-6H2,1-3H3/b21-16+
InChIKeyOBQAJGJDZGGZLU-LTGZKZEYSA-N
MW319.52 g/mol
LogP6.15
Rot. Bonds6

About 2-[(E)-2-phenyl-1-triethylsilylethenyl]benzonitrile

2-[(E)-2-phenyl-1-triethylsilylethenyl]benzonitrile (PubChem CID 11616724) has the molecular formula C21H25NSi and a molecular weight of 319.52 g/mol. Its IUPAC name is 2-[(E)-2-phenyl-1-triethylsilylethenyl]benzonitrile.

Molecular Properties

Compound Name2-[(E)-2-phenyl-1-triethylsilylethenyl]benzonitrile
PubChem CID11616724
Molecular FormulaC21H25NSi
Molecular Weight319.52 g/mol
Exact Mass319.18
IUPAC Name2-[(E)-2-phenyl-1-triethylsilylethenyl]benzonitrile
SMILESCC[Si](CC)(CC)/C(=C/c1ccccc1)c1ccccc1C#N
InChIInChI=1S/C21H25NSi/c1-4-23(5-2,6-3)21(16-18-12-8-7-9-13-18)20-15-11-10-14-19(20)17-22/h7-16H,4-6H2,1-3H3/b21-16+
InChIKeyOBQAJGJDZGGZLU-LTGZKZEYSA-N
XLogP6.15
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.52
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Methylbenzonitrile
CID 10721
(1,1'-Biphenyl)-4-carbonitrile, 4'-hexyl-
CID 38764
(1,1'-Biphenyl)-2-carbonitrile
CID 141162
2-(o-Tolyl)acetonitrile
CID 31155
Benzeneacetonitrile, alpha-(phenylmethylene)-
CID 1268120
4'-Octyl-4-cyanobiphenyl
CID 104289
2-Cyano-4'-methylbiphenyl
CID 145512
4-Cyano-4'-pentylbiphenyl
CID 92319
(1,1'-Biphenyl)-4-carbonitrile, 4'-propyl-
CID 93891
[1,1'-Biphenyl]-4-carbonitrile, 4'-decyl-
CID 101061
[1,1'-Biphenyl]-4-carbonitrile, 4'-butyl-
CID 104288
[1,1'-Biphenyl]-4-carbonitrile, 4'-undecyl-
CID 105224

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-phenyl-1-triethylsilylethenyl]benzonitrile?
The IUPAC name of 2-[(E)-2-phenyl-1-triethylsilylethenyl]benzonitrile (CID 11616724) is 2-[(E)-2-phenyl-1-triethylsilylethenyl]benzonitrile.
What is the SMILES notation for 2-[(E)-2-phenyl-1-triethylsilylethenyl]benzonitrile?
The canonical SMILES for 2-[(E)-2-phenyl-1-triethylsilylethenyl]benzonitrile is CC[Si](CC)(CC)/C(=C/c1ccccc1)c1ccccc1C#N.
What is the InChIKey of 2-[(E)-2-phenyl-1-triethylsilylethenyl]benzonitrile?
The InChIKey is OBQAJGJDZGGZLU-LTGZKZEYSA-N. The full InChI is InChI=1S/C21H25NSi/c1-4-23(5-2,6-3)21(16-18-12-8-7-9-13-18)20-15-11-10-14-19(20)17-22/h7-16H,4-6H2,1-3H3/b21-16+.
What are the key properties of 2-[(E)-2-phenyl-1-triethylsilylethenyl]benzonitrile?
2-[(E)-2-phenyl-1-triethylsilylethenyl]benzonitrile has a molecular weight of 319.52 g/mol, XLogP of 6.15, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-phenyl-1-triethylsilylethenyl]benzonitrile is sourced from PubChem (CID 11616724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).