3-[2-[(2,3-dicyanophenyl)-dimethylsilyl]ethyl-dimethylsilyl]benzene-1,2-dicarbonitrile

C22H22N4Si2 — CID 135034049

IUPAC3-[2-[(2,3-dicyanophenyl)-dimethylsilyl]ethyl-dimethylsilyl]benzene-1,2-dicarbonitrile
SMILESC[Si](C)(CC[Si](C)(C)c1cccc(C#N)c1C#N)c1cccc(C#N)c1C#N
InChIInChI=1S/C22H22N4Si2/c1-27(2,21-9-5-7-17(13-23)19(21)15-25)11-12-28(3,4)22-10-6-8-18(14-24)20(22)16-26/h5-10H,11-12H2,1-4H3
InChIKeyZQVFLGMMTJMKHK-UHFFFAOYSA-N
MW398.62 g/mol
LogP3.70
Rot. Bonds5

About 3-[2-[(2,3-dicyanophenyl)-dimethylsilyl]ethyl-dimethylsilyl]benzene-1,2-dicarbonitrile

3-[2-[(2,3-dicyanophenyl)-dimethylsilyl]ethyl-dimethylsilyl]benzene-1,2-dicarbonitrile (PubChem CID 135034049) has the molecular formula C22H22N4Si2 and a molecular weight of 398.62 g/mol. Its IUPAC name is 3-[2-[(2,3-dicyanophenyl)-dimethylsilyl]ethyl-dimethylsilyl]benzene-1,2-dicarbonitrile.

Molecular Properties

Compound Name3-[2-[(2,3-dicyanophenyl)-dimethylsilyl]ethyl-dimethylsilyl]benzene-1,2-dicarbonitrile
PubChem CID135034049
Molecular FormulaC22H22N4Si2
Molecular Weight398.62 g/mol
Exact Mass398.14
IUPAC Name3-[2-[(2,3-dicyanophenyl)-dimethylsilyl]ethyl-dimethylsilyl]benzene-1,2-dicarbonitrile
SMILESC[Si](C)(CC[Si](C)(C)c1cccc(C#N)c1C#N)c1cccc(C#N)c1C#N
InChIInChI=1S/C22H22N4Si2/c1-27(2,21-9-5-7-17(13-23)19(21)15-25)11-12-28(3,4)22-10-6-8-18(14-24)20(22)16-26/h5-10H,11-12H2,1-4H3
InChIKeyZQVFLGMMTJMKHK-UHFFFAOYSA-N
XLogP3.70
TPSA95.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.62
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(Trimethylsilyl)ethynyl]benzonitrile
CID 13659727
a-Cyanostilbene
CID 15505694
2-[(E)-2-(4-methylphenyl)ethenyl]benzonitrile
CID 19873770
2-[(E)-2-(4-methylphenyl)but-1-enyl]benzonitrile
CID 129304021
2-[(E)-2-(4-butylphenyl)ethenyl]benzonitrile
CID 129304028
2-[(E)-2-phenylprop-1-enyl]benzonitrile
CID 129304030
2-Cyclohexylidene-2-ortho-tolyl acetonitrile
CID 67367311
2-[[(2-Cyanophenyl)methyldiselanyl]methyl]benzonitrile
CID 53375795
[1,1'-Biphenyl]-2,2'-dicarbonitrile
CID 266827
2-(4-Cyanostyryl)benzonitrile
CID 71628819
2-[(E)-2-phenylbut-1-enyl]benzonitrile
CID 137642945
2-[2-(4-Cyanophenyl)ethyl]benzonitrile
CID 155568003

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2,3-dicyanophenyl)-dimethylsilyl]ethyl-dimethylsilyl]benzene-1,2-dicarbonitrile?
The IUPAC name of 3-[2-[(2,3-dicyanophenyl)-dimethylsilyl]ethyl-dimethylsilyl]benzene-1,2-dicarbonitrile (CID 135034049) is 3-[2-[(2,3-dicyanophenyl)-dimethylsilyl]ethyl-dimethylsilyl]benzene-1,2-dicarbonitrile.
What is the SMILES notation for 3-[2-[(2,3-dicyanophenyl)-dimethylsilyl]ethyl-dimethylsilyl]benzene-1,2-dicarbonitrile?
The canonical SMILES for 3-[2-[(2,3-dicyanophenyl)-dimethylsilyl]ethyl-dimethylsilyl]benzene-1,2-dicarbonitrile is C[Si](C)(CC[Si](C)(C)c1cccc(C#N)c1C#N)c1cccc(C#N)c1C#N.
What is the InChIKey of 3-[2-[(2,3-dicyanophenyl)-dimethylsilyl]ethyl-dimethylsilyl]benzene-1,2-dicarbonitrile?
The InChIKey is ZQVFLGMMTJMKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4Si2/c1-27(2,21-9-5-7-17(13-23)19(21)15-25)11-12-28(3,4)22-10-6-8-18(14-24)20(22)16-26/h5-10H,11-12H2,1-4H3.
What are the key properties of 3-[2-[(2,3-dicyanophenyl)-dimethylsilyl]ethyl-dimethylsilyl]benzene-1,2-dicarbonitrile?
3-[2-[(2,3-dicyanophenyl)-dimethylsilyl]ethyl-dimethylsilyl]benzene-1,2-dicarbonitrile has a molecular weight of 398.62 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2,3-dicyanophenyl)-dimethylsilyl]ethyl-dimethylsilyl]benzene-1,2-dicarbonitrile is sourced from PubChem (CID 135034049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).