dimethyl-phenyl-[phenyl-[4-(trifluoromethylsulfanyl)phenyl]methyl]silane

C22H21F3SSi — CID 155935087

IUPACdimethyl-phenyl-[phenyl-[4-(trifluoromethylsulfanyl)phenyl]methyl]silane
SMILESC[Si](C)(c1ccccc1)C(c1ccccc1)c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C22H21F3SSi/c1-27(2,20-11-7-4-8-12-20)21(17-9-5-3-6-10-17)18-13-15-19(16-14-18)26-22(23,24)25/h3-16,21H,1-2H3
InChIKeyZJIWNQLISVDALF-UHFFFAOYSA-N
MW402.56 g/mol
LogP6.59
Rot. Bonds5

About dimethyl-phenyl-[phenyl-[4-(trifluoromethylsulfanyl)phenyl]methyl]silane

dimethyl-phenyl-[phenyl-[4-(trifluoromethylsulfanyl)phenyl]methyl]silane (PubChem CID 155935087) has the molecular formula C22H21F3SSi and a molecular weight of 402.56 g/mol. Its IUPAC name is dimethyl-phenyl-[phenyl-[4-(trifluoromethylsulfanyl)phenyl]methyl]silane.

Molecular Properties

Compound Namedimethyl-phenyl-[phenyl-[4-(trifluoromethylsulfanyl)phenyl]methyl]silane
PubChem CID155935087
Molecular FormulaC22H21F3SSi
Molecular Weight402.56 g/mol
Exact Mass402.11
IUPAC Namedimethyl-phenyl-[phenyl-[4-(trifluoromethylsulfanyl)phenyl]methyl]silane
SMILESC[Si](C)(c1ccccc1)C(c1ccccc1)c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C22H21F3SSi/c1-27(2,20-11-7-4-8-12-20)21(17-9-5-3-6-10-17)18-13-15-19(16-14-18)26-22(23,24)25/h3-16,21H,1-2H3
InChIKeyZJIWNQLISVDALF-UHFFFAOYSA-N
XLogP6.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.56
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-Difluoromethylsulfanyl-4'-propyl-biphenyl
CID 19436207
1-Difluoromethylsulfanyl-4-(4-pentyl-cyclohexyl)-benzene
CID 19436550
4-[(Difluoromethyl)sulfanyl]-4'-(4-pentylcyclohexyl)biphenyl
CID 2836720
Tri-p-tolylsulfonium Hexafluorophosphate
CID 13750251
Diphenyl-[2-[4-(trifluoromethylsulfanyl)phenyl]ethynyl]silane
CID 177930166
[1,1-Bis(phenylthio)-2,2,2-trifluoroethyl]benzene
CID 11068839
4-Trifluoromethylsulfanyl-biphenyl
CID 19601797
1-(Bis(4-methylphenyl)-lambda(4)-sulfanyl)-4-methylbenzene
CID 494156
4-Pentyl-4'-[(trifluoromethyl)sulfanyl]-1,1'-biphenyl
CID 14816967
4'-Propyl-4-(4-trifluoromethylsulfanyl-phenyl)-bicyclohexyl
CID 14816968
1-[(E)-1-fluoro-2-phenylprop-1-enyl]sulfanyl-4-methylbenzene
CID 101481706
1-fluoro-4-[(E)-1-(4-fluorophenyl)sulfanyl-1-phenylprop-1-en-2-yl]sulfanylbenzene
CID 101499461

Frequently Asked Questions

What is the IUPAC name of dimethyl-phenyl-[phenyl-[4-(trifluoromethylsulfanyl)phenyl]methyl]silane?
The IUPAC name of dimethyl-phenyl-[phenyl-[4-(trifluoromethylsulfanyl)phenyl]methyl]silane (CID 155935087) is dimethyl-phenyl-[phenyl-[4-(trifluoromethylsulfanyl)phenyl]methyl]silane.
What is the SMILES notation for dimethyl-phenyl-[phenyl-[4-(trifluoromethylsulfanyl)phenyl]methyl]silane?
The canonical SMILES for dimethyl-phenyl-[phenyl-[4-(trifluoromethylsulfanyl)phenyl]methyl]silane is C[Si](C)(c1ccccc1)C(c1ccccc1)c1ccc(SC(F)(F)F)cc1.
What is the InChIKey of dimethyl-phenyl-[phenyl-[4-(trifluoromethylsulfanyl)phenyl]methyl]silane?
The InChIKey is ZJIWNQLISVDALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3SSi/c1-27(2,20-11-7-4-8-12-20)21(17-9-5-3-6-10-17)18-13-15-19(16-14-18)26-22(23,24)25/h3-16,21H,1-2H3.
What are the key properties of dimethyl-phenyl-[phenyl-[4-(trifluoromethylsulfanyl)phenyl]methyl]silane?
dimethyl-phenyl-[phenyl-[4-(trifluoromethylsulfanyl)phenyl]methyl]silane has a molecular weight of 402.56 g/mol, XLogP of 6.59, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-phenyl-[phenyl-[4-(trifluoromethylsulfanyl)phenyl]methyl]silane is sourced from PubChem (CID 155935087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).