dibenzyl-(3-tert-butylphenyl)-(3-phenylpropyl)silane

C33H38Si — CID 174063345

IUPACdibenzyl-(3-tert-butylphenyl)-(3-phenylpropyl)silane
SMILESCC(C)(C)c1cccc([Si](CCCc2ccccc2)(Cc2ccccc2)Cc2ccccc2)c1
InChIInChI=1S/C33H38Si/c1-33(2,3)31-22-13-23-32(25-31)34(26-29-17-9-5-10-18-29,27-30-19-11-6-12-20-30)24-14-21-28-15-7-4-8-16-28/h4-13,15-20,22-23,25H,14,21,24,26-27H2,1-3H3
InChIKeyCVBTVLCMWSRVDI-UHFFFAOYSA-N
MW462.75 g/mol
LogP7.84
Rot. Bonds9

About dibenzyl-(3-tert-butylphenyl)-(3-phenylpropyl)silane

dibenzyl-(3-tert-butylphenyl)-(3-phenylpropyl)silane (PubChem CID 174063345) has the molecular formula C33H38Si and a molecular weight of 462.75 g/mol. Its IUPAC name is dibenzyl-(3-tert-butylphenyl)-(3-phenylpropyl)silane.

Molecular Properties

Compound Namedibenzyl-(3-tert-butylphenyl)-(3-phenylpropyl)silane
PubChem CID174063345
Molecular FormulaC33H38Si
Molecular Weight462.75 g/mol
Exact Mass462.27
IUPAC Namedibenzyl-(3-tert-butylphenyl)-(3-phenylpropyl)silane
SMILESCC(C)(C)c1cccc([Si](CCCc2ccccc2)(Cc2ccccc2)Cc2ccccc2)c1
InChIInChI=1S/C33H38Si/c1-33(2,3)31-22-13-23-32(25-31)34(26-29-17-9-5-10-18-29,27-30-19-11-6-12-20-30)24-14-21-28-15-7-4-8-16-28/h4-13,15-20,22-23,25H,14,21,24,26-27H2,1-3H3
InChIKeyCVBTVLCMWSRVDI-UHFFFAOYSA-N
XLogP7.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.75
LogP ≤ 57.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze dibenzyl-(3-tert-butylphenyl)-(3-phenylpropyl)silane 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

1,3-ditert-butyl-5-(3-phenylpropyl)benzene
CID 101326636
tetrakis(3-phenylpropyl)silane
CID 4606835
hydroxy-(2-methyl-6-phenylhexan-2-yl)-diphenylsilane
CID 70887086
1,4-bis(3-phenylpropyl)benzene
CID 59467322
CID 159131095
CID 159131095
(2-methyl-6-phenylhexan-2-yl)benzene
CID 57113008
1,3-bis(2-phenylethyl)benzene;1,4-bis(2-phenylethyl)benzene;1,3-bis(3-phenylpropyl)benzene;1,4-bis(3-phenylpropyl)benzene
CID 161066607
N-bis(3-tributylsilylphenyl)phosphanyl-2-phenylethanamine
CID 171491145
4-phenylbutylbenzene
CID 141301927
2-methyl-6-phenylhexan-2-ol
CID 12716611
5-(3-tert-butylphenyl)-2-fluoropentan-2-amine
CID 70646222
2-(3-chlorophenyl)-5-phenylpentan-2-amine
CID 55095968

Frequently Asked Questions

What is the IUPAC name of dibenzyl-(3-tert-butylphenyl)-(3-phenylpropyl)silane?
The IUPAC name of dibenzyl-(3-tert-butylphenyl)-(3-phenylpropyl)silane (CID 174063345) is dibenzyl-(3-tert-butylphenyl)-(3-phenylpropyl)silane.
What is the SMILES notation for dibenzyl-(3-tert-butylphenyl)-(3-phenylpropyl)silane?
The canonical SMILES for dibenzyl-(3-tert-butylphenyl)-(3-phenylpropyl)silane is CC(C)(C)c1cccc([Si](CCCc2ccccc2)(Cc2ccccc2)Cc2ccccc2)c1.
What is the InChIKey of dibenzyl-(3-tert-butylphenyl)-(3-phenylpropyl)silane?
The InChIKey is CVBTVLCMWSRVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38Si/c1-33(2,3)31-22-13-23-32(25-31)34(26-29-17-9-5-10-18-29,27-30-19-11-6-12-20-30)24-14-21-28-15-7-4-8-16-28/h4-13,15-20,22-23,25H,14,21,24,26-27H2,1-3H3.
What are the key properties of dibenzyl-(3-tert-butylphenyl)-(3-phenylpropyl)silane?
dibenzyl-(3-tert-butylphenyl)-(3-phenylpropyl)silane has a molecular weight of 462.75 g/mol, XLogP of 7.84, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzyl-(3-tert-butylphenyl)-(3-phenylpropyl)silane is sourced from PubChem (CID 174063345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).