4-chloro-2-[methyl(diphenyl)silyl]benzonitrile

C20H16ClNSi — CID 166636982

IUPAC4-chloro-2-[methyl(diphenyl)silyl]benzonitrile
SMILESC[Si](c1ccccc1)(c1ccccc1)c1cc(Cl)ccc1C#N
InChIInChI=1S/C20H16ClNSi/c1-23(18-8-4-2-5-9-18,19-10-6-3-7-11-19)20-14-17(21)13-12-16(20)15-22/h2-14H,1H3
InChIKeyQLJFPJWFGALEOZ-UHFFFAOYSA-N
MW333.89 g/mol
LogP3.31
Rot. Bonds3

About 4-chloro-2-[methyl(diphenyl)silyl]benzonitrile

4-chloro-2-[methyl(diphenyl)silyl]benzonitrile (PubChem CID 166636982) has the molecular formula C20H16ClNSi and a molecular weight of 333.89 g/mol. Its IUPAC name is 4-chloro-2-[methyl(diphenyl)silyl]benzonitrile.

Molecular Properties

Compound Name4-chloro-2-[methyl(diphenyl)silyl]benzonitrile
PubChem CID166636982
Molecular FormulaC20H16ClNSi
Molecular Weight333.89 g/mol
Exact Mass333.07
IUPAC Name4-chloro-2-[methyl(diphenyl)silyl]benzonitrile
SMILESC[Si](c1ccccc1)(c1ccccc1)c1cc(Cl)ccc1C#N
InChIInChI=1S/C20H16ClNSi/c1-23(18-8-4-2-5-9-18,19-10-6-3-7-11-19)20-14-17(21)13-12-16(20)15-22/h2-14H,1H3
InChIKeyQLJFPJWFGALEOZ-UHFFFAOYSA-N
XLogP3.31
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.89
LogP ≤ 53.31
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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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[methyl(diphenyl)silyl]benzonitrile?
The IUPAC name of 4-chloro-2-[methyl(diphenyl)silyl]benzonitrile (CID 166636982) is 4-chloro-2-[methyl(diphenyl)silyl]benzonitrile.
What is the SMILES notation for 4-chloro-2-[methyl(diphenyl)silyl]benzonitrile?
The canonical SMILES for 4-chloro-2-[methyl(diphenyl)silyl]benzonitrile is C[Si](c1ccccc1)(c1ccccc1)c1cc(Cl)ccc1C#N.
What is the InChIKey of 4-chloro-2-[methyl(diphenyl)silyl]benzonitrile?
The InChIKey is QLJFPJWFGALEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClNSi/c1-23(18-8-4-2-5-9-18,19-10-6-3-7-11-19)20-14-17(21)13-12-16(20)15-22/h2-14H,1H3.
What are the key properties of 4-chloro-2-[methyl(diphenyl)silyl]benzonitrile?
4-chloro-2-[methyl(diphenyl)silyl]benzonitrile has a molecular weight of 333.89 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[methyl(diphenyl)silyl]benzonitrile is sourced from PubChem (CID 166636982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).