[3-(2,2-dimethylpropyl)phenyl]-triphenylsilane

C29H30Si — CID 174021636

IUPAC[3-(2,2-dimethylpropyl)phenyl]-triphenylsilane
SMILESCC(C)(C)Cc1cccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C29H30Si/c1-29(2,3)23-24-14-13-21-28(22-24)30(25-15-7-4-8-16-25,26-17-9-5-10-18-26)27-19-11-6-12-20-27/h4-22H,23H2,1-3H3
InChIKeyXEESPELBCWJTKU-UHFFFAOYSA-N
MW406.65 g/mol
LogP4.65
Rot. Bonds5

About [3-(2,2-dimethylpropyl)phenyl]-triphenylsilane

[3-(2,2-dimethylpropyl)phenyl]-triphenylsilane (PubChem CID 174021636) has the molecular formula C29H30Si and a molecular weight of 406.65 g/mol. Its IUPAC name is [3-(2,2-dimethylpropyl)phenyl]-triphenylsilane.

Molecular Properties

Compound Name[3-(2,2-dimethylpropyl)phenyl]-triphenylsilane
PubChem CID174021636
Molecular FormulaC29H30Si
Molecular Weight406.65 g/mol
Exact Mass406.21
IUPAC Name[3-(2,2-dimethylpropyl)phenyl]-triphenylsilane
SMILESCC(C)(C)Cc1cccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C29H30Si/c1-29(2,3)23-24-14-13-21-28(22-24)30(25-15-7-4-8-16-25,26-17-9-5-10-18-26)27-19-11-6-12-20-27/h4-22H,23H2,1-3H3
InChIKeyXEESPELBCWJTKU-UHFFFAOYSA-N
XLogP4.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.65
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [3-(2,2-dimethylpropyl)phenyl]-triphenylsilane 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

2,2-dimethylpropylbenzene;methanol
CID 157125736
2,2-dimethylpropane;2,2-dimethylpropylbenzene;2,2,3-trimethylbutane
CID 159235518
[3-(2,2-dimethylpropyl)phenyl]methanol
CID 23381572
2,2-dimethylpropane;1-(2,2-dimethylpropyl)-3-methylbenzene;ethane;propane
CID 144517677
3-[(3-aminophenyl)-diphenylsilyl]aniline
CID 139628514
azane;1-(2,2-dimethylpropyl)-3-fluorobenzene
CID 174720332
2,2-dimethylpropane;phenylmethanamine
CID 158787980
(3-bromophenyl)-triphenylsilane
CID 158328099
1-(2,2-dimethylpropyl)-4-phenylbenzene
CID 23381564
1-tert-butylsulfonyl-3-(2,2-dimethylpropyl)benzene
CID 166779231
1-(2,2-dimethylpropyl)-3-nitrobenzene
CID 13119626
1-tert-butyl-3-(2,2-dimethylpropyl)benzene;1-(2,2-dimethylpropyl)-3-propylbenzene
CID 145400173

Frequently Asked Questions

What is the IUPAC name of [3-(2,2-dimethylpropyl)phenyl]-triphenylsilane?
The IUPAC name of [3-(2,2-dimethylpropyl)phenyl]-triphenylsilane (CID 174021636) is [3-(2,2-dimethylpropyl)phenyl]-triphenylsilane.
What is the SMILES notation for [3-(2,2-dimethylpropyl)phenyl]-triphenylsilane?
The canonical SMILES for [3-(2,2-dimethylpropyl)phenyl]-triphenylsilane is CC(C)(C)Cc1cccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of [3-(2,2-dimethylpropyl)phenyl]-triphenylsilane?
The InChIKey is XEESPELBCWJTKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30Si/c1-29(2,3)23-24-14-13-21-28(22-24)30(25-15-7-4-8-16-25,26-17-9-5-10-18-26)27-19-11-6-12-20-27/h4-22H,23H2,1-3H3.
What are the key properties of [3-(2,2-dimethylpropyl)phenyl]-triphenylsilane?
[3-(2,2-dimethylpropyl)phenyl]-triphenylsilane has a molecular weight of 406.65 g/mol, XLogP of 4.65, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,2-dimethylpropyl)phenyl]-triphenylsilane is sourced from PubChem (CID 174021636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).