4-[4-[2-[4-(3,4-difluorophenyl)phenyl]ethyl]phenyl]-1-pentylsilinane

C30H36F2Si — CID 54735607

IUPAC4-[4-[2-[4-(3,4-difluorophenyl)phenyl]ethyl]phenyl]-1-pentylsilinane
SMILESCCCCC[SiH]1CCC(c2ccc(CCc3ccc(-c4ccc(F)c(F)c4)cc3)cc2)CC1
InChIInChI=1S/C30H36F2Si/c1-2-3-4-19-33-20-17-27(18-21-33)25-11-7-23(8-12-25)5-6-24-9-13-26(14-10-24)28-15-16-29(31)30(32)22-28/h7-16,22,27,33H,2-6,17-21H2,1H3
InChIKeyFSKLTJRWFQRVGQ-UHFFFAOYSA-N
MW462.70 g/mol
LogP8.71
Rot. Bonds9

About 4-[4-[2-[4-(3,4-difluorophenyl)phenyl]ethyl]phenyl]-1-pentylsilinane

4-[4-[2-[4-(3,4-difluorophenyl)phenyl]ethyl]phenyl]-1-pentylsilinane (PubChem CID 54735607) has the molecular formula C30H36F2Si and a molecular weight of 462.70 g/mol. Its IUPAC name is 4-[4-[2-[4-(3,4-difluorophenyl)phenyl]ethyl]phenyl]-1-pentylsilinane.

Molecular Properties

Compound Name4-[4-[2-[4-(3,4-difluorophenyl)phenyl]ethyl]phenyl]-1-pentylsilinane
PubChem CID54735607
Molecular FormulaC30H36F2Si
Molecular Weight462.70 g/mol
Exact Mass462.26
IUPAC Name4-[4-[2-[4-(3,4-difluorophenyl)phenyl]ethyl]phenyl]-1-pentylsilinane
SMILESCCCCC[SiH]1CCC(c2ccc(CCc3ccc(-c4ccc(F)c(F)c4)cc3)cc2)CC1
InChIInChI=1S/C30H36F2Si/c1-2-3-4-19-33-20-17-27(18-21-33)25-11-7-23(8-12-25)5-6-24-9-13-26(14-10-24)28-15-16-29(31)30(32)22-28/h7-16,22,27,33H,2-6,17-21H2,1H3
InChIKeyFSKLTJRWFQRVGQ-UHFFFAOYSA-N
XLogP8.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.70
LogP ≤ 58.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 4-[4-[2-[4-(3,4-difluorophenyl)phenyl]ethyl]phenyl]-1-pentylsilinane 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-[4-(3,4-difluorophenyl)phenyl]cyclohexyl]-1-pentylsilinane
CID 54727604
4-[4-[4-[2-(3,4-difluorophenyl)ethyl]phenyl]-3-fluorophenyl]-1-pentylsilinane
CID 54731965
4-[4-(3,4-difluorophenyl)phenyl]-1-propylsilinane
CID 22875775
4-[4-(3,4-difluorophenyl)phenyl]-1-ethylsilinane
CID 54735927
4-(4-fluorophenyl)-1-heptylsilinane
CID 54037116
4-[4-(3,4-difluorophenyl)phenyl]-1-(4-pentylcyclohexyl)silinane
CID 54734843
4-(4-bromo-3-fluorophenyl)-1-pentylsilinane
CID 54737119
CID 22924523
CID 22924523
4-[4-(3,5-difluoro-4-nonan-2-yloxyphenyl)phenyl]-1-(4-fluoropentyl)silinane
CID 173311068
4-[4-[4-(3,4-difluorophenyl)butyl]cyclohexyl]-1-pentylsilinane
CID 54734202
2-(4-cyclobutylphenyl)-1,3-difluoro-5-(4-propylphenyl)benzene
CID 166999626
1-(4-fluorocyclohexyl)-4-(4-pentylphenyl)benzene
CID 22123952

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-[4-(3,4-difluorophenyl)phenyl]ethyl]phenyl]-1-pentylsilinane?
The IUPAC name of 4-[4-[2-[4-(3,4-difluorophenyl)phenyl]ethyl]phenyl]-1-pentylsilinane (CID 54735607) is 4-[4-[2-[4-(3,4-difluorophenyl)phenyl]ethyl]phenyl]-1-pentylsilinane.
What is the SMILES notation for 4-[4-[2-[4-(3,4-difluorophenyl)phenyl]ethyl]phenyl]-1-pentylsilinane?
The canonical SMILES for 4-[4-[2-[4-(3,4-difluorophenyl)phenyl]ethyl]phenyl]-1-pentylsilinane is CCCCC[SiH]1CCC(c2ccc(CCc3ccc(-c4ccc(F)c(F)c4)cc3)cc2)CC1.
What is the InChIKey of 4-[4-[2-[4-(3,4-difluorophenyl)phenyl]ethyl]phenyl]-1-pentylsilinane?
The InChIKey is FSKLTJRWFQRVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36F2Si/c1-2-3-4-19-33-20-17-27(18-21-33)25-11-7-23(8-12-25)5-6-24-9-13-26(14-10-24)28-15-16-29(31)30(32)22-28/h7-16,22,27,33H,2-6,17-21H2,1H3.
What are the key properties of 4-[4-[2-[4-(3,4-difluorophenyl)phenyl]ethyl]phenyl]-1-pentylsilinane?
4-[4-[2-[4-(3,4-difluorophenyl)phenyl]ethyl]phenyl]-1-pentylsilinane has a molecular weight of 462.70 g/mol, XLogP of 8.71, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-[4-(3,4-difluorophenyl)phenyl]ethyl]phenyl]-1-pentylsilinane is sourced from PubChem (CID 54735607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).