4-[4-[2-[1-[4-(3-methylbutyl)cyclohexyl]silinan-4-yl]ethyl]phenyl]benzonitrile

C31H43NSi — CID 54148514

IUPAC4-[4-[2-[1-[4-(3-methylbutyl)cyclohexyl]silinan-4-yl]ethyl]phenyl]benzonitrile
SMILESCC(C)CCC1CCC([SiH]2CCC(CCc3ccc(-c4ccc(C#N)cc4)cc3)CC2)CC1
InChIInChI=1S/C31H43NSi/c1-24(2)3-4-25-11-17-31(18-12-25)33-21-19-27(20-22-33)6-5-26-7-13-29(14-8-26)30-15-9-28(23-32)10-16-30/h7-10,13-16,24-25,27,31,33H,3-6,11-12,17-22H2,1-2H3
InChIKeyOGBKGQCMAGCOAJ-UHFFFAOYSA-N
MW457.78 g/mol
LogP8.79
Rot. Bonds8

About 4-[4-[2-[1-[4-(3-methylbutyl)cyclohexyl]silinan-4-yl]ethyl]phenyl]benzonitrile

4-[4-[2-[1-[4-(3-methylbutyl)cyclohexyl]silinan-4-yl]ethyl]phenyl]benzonitrile (PubChem CID 54148514) has the molecular formula C31H43NSi and a molecular weight of 457.78 g/mol. Its IUPAC name is 4-[4-[2-[1-[4-(3-methylbutyl)cyclohexyl]silinan-4-yl]ethyl]phenyl]benzonitrile.

Molecular Properties

Compound Name4-[4-[2-[1-[4-(3-methylbutyl)cyclohexyl]silinan-4-yl]ethyl]phenyl]benzonitrile
PubChem CID54148514
Molecular FormulaC31H43NSi
Molecular Weight457.78 g/mol
Exact Mass457.32
IUPAC Name4-[4-[2-[1-[4-(3-methylbutyl)cyclohexyl]silinan-4-yl]ethyl]phenyl]benzonitrile
SMILESCC(C)CCC1CCC([SiH]2CCC(CCc3ccc(-c4ccc(C#N)cc4)cc3)CC2)CC1
InChIInChI=1S/C31H43NSi/c1-24(2)3-4-25-11-17-31(18-12-25)33-21-19-27(20-22-33)6-5-26-7-13-29(14-8-26)30-15-9-28(23-32)10-16-30/h7-10,13-16,24-25,27,31,33H,3-6,11-12,17-22H2,1-2H3
InChIKeyOGBKGQCMAGCOAJ-UHFFFAOYSA-N
XLogP8.79
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.78
LogP ≤ 58.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-[4-[2-[1-[4-(3-methylbutyl)cyclohexyl]silinan-4-yl]ethyl]phenyl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]phenyl]benzonitrile
CID 15131486
4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzonitrile
CID 22886911
4-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]benzonitrile
CID 14439252
4-[2-(4-but-2-enylcyclohexyl)ethyl]benzonitrile
CID 57157511
4-[2-[4-(4-propylphenyl)cyclohexyl]ethyl]benzonitrile
CID 67894424
4-[2-(4-oxocyclohexyl)ethyl]benzonitrile
CID 19739318
4-[2-[4-(4-heptylcyclohexyl)cyclohexyl]ethyl]benzonitrile
CID 54171729
4-[2-[(1R,3R)-3-[2-(4-cyanophenyl)ethyl]cyclohexyl]ethyl]benzonitrile
CID 163271987
4-[2-[4-(5-fluoropent-3-enyl)cyclohexyl]ethyl]benzonitrile
CID 54111541
4-[4-[2-(4-pentylcyclohexyl)propyl]phenyl]benzonitrile
CID 139708880
1-[2-[4-(4-methylpentyl)cyclohexyl]ethyl]-4-[4-(trifluoromethoxy)phenyl]benzene
CID 19702564
1-decyl-4-[4-[4-(3-methylbutyl)cyclohexyl]phenyl]benzene
CID 20539170

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-[1-[4-(3-methylbutyl)cyclohexyl]silinan-4-yl]ethyl]phenyl]benzonitrile?
The IUPAC name of 4-[4-[2-[1-[4-(3-methylbutyl)cyclohexyl]silinan-4-yl]ethyl]phenyl]benzonitrile (CID 54148514) is 4-[4-[2-[1-[4-(3-methylbutyl)cyclohexyl]silinan-4-yl]ethyl]phenyl]benzonitrile.
What is the SMILES notation for 4-[4-[2-[1-[4-(3-methylbutyl)cyclohexyl]silinan-4-yl]ethyl]phenyl]benzonitrile?
The canonical SMILES for 4-[4-[2-[1-[4-(3-methylbutyl)cyclohexyl]silinan-4-yl]ethyl]phenyl]benzonitrile is CC(C)CCC1CCC([SiH]2CCC(CCc3ccc(-c4ccc(C#N)cc4)cc3)CC2)CC1.
What is the InChIKey of 4-[4-[2-[1-[4-(3-methylbutyl)cyclohexyl]silinan-4-yl]ethyl]phenyl]benzonitrile?
The InChIKey is OGBKGQCMAGCOAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H43NSi/c1-24(2)3-4-25-11-17-31(18-12-25)33-21-19-27(20-22-33)6-5-26-7-13-29(14-8-26)30-15-9-28(23-32)10-16-30/h7-10,13-16,24-25,27,31,33H,3-6,11-12,17-22H2,1-2H3.
What are the key properties of 4-[4-[2-[1-[4-(3-methylbutyl)cyclohexyl]silinan-4-yl]ethyl]phenyl]benzonitrile?
4-[4-[2-[1-[4-(3-methylbutyl)cyclohexyl]silinan-4-yl]ethyl]phenyl]benzonitrile has a molecular weight of 457.78 g/mol, XLogP of 8.79, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-[1-[4-(3-methylbutyl)cyclohexyl]silinan-4-yl]ethyl]phenyl]benzonitrile is sourced from PubChem (CID 54148514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).