4-[4-(2-trimethylsilylethynyl)phenyl]benzonitrile

C18H17NSi — CID 69484722

IUPAC4-[4-(2-trimethylsilylethynyl)phenyl]benzonitrile
SMILESC[Si](C)(C)C#Cc1ccc(-c2ccc(C#N)cc2)cc1
InChIInChI=1S/C18H17NSi/c1-20(2,3)13-12-15-4-8-17(9-5-15)18-10-6-16(14-19)7-11-18/h4-11H,1-3H3
InChIKeyGVERKEJJCISSFX-UHFFFAOYSA-N
MW275.43 g/mol
LogP4.45
Rot. Bonds1

About 4-[4-(2-trimethylsilylethynyl)phenyl]benzonitrile

4-[4-(2-trimethylsilylethynyl)phenyl]benzonitrile (PubChem CID 69484722) has the molecular formula C18H17NSi and a molecular weight of 275.43 g/mol. Its IUPAC name is 4-[4-(2-trimethylsilylethynyl)phenyl]benzonitrile.

Molecular Properties

Compound Name4-[4-(2-trimethylsilylethynyl)phenyl]benzonitrile
PubChem CID69484722
Molecular FormulaC18H17NSi
Molecular Weight275.43 g/mol
Exact Mass275.11
IUPAC Name4-[4-(2-trimethylsilylethynyl)phenyl]benzonitrile
SMILESC[Si](C)(C)C#Cc1ccc(-c2ccc(C#N)cc2)cc1
InChIInChI=1S/C18H17NSi/c1-20(2,3)13-12-15-4-8-17(9-5-15)18-10-6-16(14-19)7-11-18/h4-11H,1-3H3
InChIKeyGVERKEJJCISSFX-UHFFFAOYSA-N
XLogP4.45
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.43
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(8-trimethylsilylocta-1,3,5,7-tetraynyl)benzonitrile
CID 132599654
4-[4-[4-[4-(4-cyanophenyl)phenyl]buta-1,3-diynyl]phenyl]benzonitrile
CID 71530971
trimethyl-[2-[4-[2-(4-methylphenyl)ethynyl]phenyl]ethynyl]silane
CID 66777028
3-(2-trimethylsilylethynyl)benzonitrile
CID 22570318
CID 45276954
CID 45276954
4-(2-trimethylsilylethynyl)phenol
CID 10750210
2-[4-[1-deuterio-5-[4-(2-trimethylsilylethynyl)phenyl]pyrrol-2-yl]phenyl]ethynyl-trimethylsilane
CID 59616613
2-(4-dimethylsilylphenyl)ethynyl-trimethylsilane
CID 71381536
ethane;4-pyridin-4-ylbenzonitrile
CID 142098064
4-[2-[4-[2-[4-(2-trimethylsilylethynyl)phenyl]ethynyl]phenyl]ethynyl]phenol
CID 11843653
trimethyl-[2-[4-(2-methylphenyl)phenyl]ethynyl]silane
CID 59774101
3-iodo-5-(2-trimethylsilylethynyl)benzonitrile
CID 10616011

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-trimethylsilylethynyl)phenyl]benzonitrile?
The IUPAC name of 4-[4-(2-trimethylsilylethynyl)phenyl]benzonitrile (CID 69484722) is 4-[4-(2-trimethylsilylethynyl)phenyl]benzonitrile.
What is the SMILES notation for 4-[4-(2-trimethylsilylethynyl)phenyl]benzonitrile?
The canonical SMILES for 4-[4-(2-trimethylsilylethynyl)phenyl]benzonitrile is C[Si](C)(C)C#Cc1ccc(-c2ccc(C#N)cc2)cc1.
What is the InChIKey of 4-[4-(2-trimethylsilylethynyl)phenyl]benzonitrile?
The InChIKey is GVERKEJJCISSFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NSi/c1-20(2,3)13-12-15-4-8-17(9-5-15)18-10-6-16(14-19)7-11-18/h4-11H,1-3H3.
What are the key properties of 4-[4-(2-trimethylsilylethynyl)phenyl]benzonitrile?
4-[4-(2-trimethylsilylethynyl)phenyl]benzonitrile has a molecular weight of 275.43 g/mol, XLogP of 4.45, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-trimethylsilylethynyl)phenyl]benzonitrile is sourced from PubChem (CID 69484722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).