diphenyl-(2,4,6-trimethylphenyl)sulfanium;hexafluoroantimony(1-)

C21H21F6SSb — CID 23133103

IUPACdiphenyl-(2,4,6-trimethylphenyl)sulfanium;hexafluoroantimony(1-)
SMILESCc1cc(C)c([S+](c2ccccc2)c2ccccc2)c(C)c1.F[Sb-](F)(F)(F)(F)F
InChIInChI=1S/C21H21S.6FH.Sb/c1-16-14-17(2)21(18(3)15-16)22(19-10-6-4-7-11-19)20-12-8-5-9-13-20;;;;;;;/h4-15H,1-3H3;6*1H;/q+1;;;;;;;+5/p-6
InChIKeyVFNIICXWQFZWBH-UHFFFAOYSA-H
MW541.21 g/mol
LogP7.85
Rot. Bonds3

About diphenyl-(2,4,6-trimethylphenyl)sulfanium;hexafluoroantimony(1-)

diphenyl-(2,4,6-trimethylphenyl)sulfanium;hexafluoroantimony(1-) (PubChem CID 23133103) has the molecular formula C21H21F6SSb and a molecular weight of 541.21 g/mol. Its IUPAC name is diphenyl-(2,4,6-trimethylphenyl)sulfanium;hexafluoroantimony(1-).

Molecular Properties

Compound Namediphenyl-(2,4,6-trimethylphenyl)sulfanium;hexafluoroantimony(1-)
PubChem CID23133103
Molecular FormulaC21H21F6SSb
Molecular Weight541.21 g/mol
Exact Mass540.03
IUPAC Namediphenyl-(2,4,6-trimethylphenyl)sulfanium;hexafluoroantimony(1-)
SMILESCc1cc(C)c([S+](c2ccccc2)c2ccccc2)c(C)c1.F[Sb-](F)(F)(F)(F)F
InChIInChI=1S/C21H21S.6FH.Sb/c1-16-14-17(2)21(18(3)15-16)22(19-10-6-4-7-11-19)20-12-8-5-9-13-20;;;;;;;/h4-15H,1-3H3;6*1H;/q+1;;;;;;;+5/p-6
InChIKeyVFNIICXWQFZWBH-UHFFFAOYSA-H
XLogP7.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.21
LogP ≤ 57.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

diphenyl-(2,4,6-trimethylphenyl)sulfanium;1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-octadecafluorooctane
CID 87878512
diphenyl-(2,4,6-trimethylphenyl)sulfanium acetate
CID 86209985
phenyl-bis(2,4,6-trimethylphenyl)sulfanium acetate
CID 162307446
[2-(aziridin-1-yl)-4,6-dimethylphenyl]-diphenylsulfanium
CID 149225033
3,5-bis(trifluoromethyl)benzenesulfonate;diphenyl-(2,4,6-trimethylphenyl)sulfanium
CID 22316195
(4-methylphenyl)-[4-(trifluoromethyl)phenyl]-(2,4,6-trimethylphenyl)sulfanium
CID 163549423
bis(3,5-dimethylphenyl)-phenylsulfanium
CID 22057408
bis(2,6-dimethylphenyl)-phenylsulfanium
CID 22057384
[2-methyl-4,6-bis(trifluoromethyl)phenyl]-diphenylsulfanium
CID 158764724
bis(4-fluorophenyl)-phenylsulfanium;(2,4-dimethylphenyl)-diphenylsulfanium;diphenyl-(2,4,6-trimethylphenyl)sulfanium;(4-fluorophenyl)-diphenylsulfanium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium
CID 161050471
(4-tert-butyl-2,6-dimethylphenyl)-bis(4-methylphenyl)sulfanium
CID 58658264
[3,5-bis(trifluoromethyl)phenyl]-[3-methyl-5-(trifluoromethyl)phenyl]-(2,4,6-trimethylphenyl)sulfanium
CID 157149244

Frequently Asked Questions

What is the IUPAC name of diphenyl-(2,4,6-trimethylphenyl)sulfanium;hexafluoroantimony(1-)?
The IUPAC name of diphenyl-(2,4,6-trimethylphenyl)sulfanium;hexafluoroantimony(1-) (CID 23133103) is diphenyl-(2,4,6-trimethylphenyl)sulfanium;hexafluoroantimony(1-).
What is the SMILES notation for diphenyl-(2,4,6-trimethylphenyl)sulfanium;hexafluoroantimony(1-)?
The canonical SMILES for diphenyl-(2,4,6-trimethylphenyl)sulfanium;hexafluoroantimony(1-) is Cc1cc(C)c([S+](c2ccccc2)c2ccccc2)c(C)c1.F[Sb-](F)(F)(F)(F)F.
What is the InChIKey of diphenyl-(2,4,6-trimethylphenyl)sulfanium;hexafluoroantimony(1-)?
The InChIKey is VFNIICXWQFZWBH-UHFFFAOYSA-H. The full InChI is InChI=1S/C21H21S.6FH.Sb/c1-16-14-17(2)21(18(3)15-16)22(19-10-6-4-7-11-19)20-12-8-5-9-13-20;;;;;;;/h4-15H,1-3H3;6*1H;/q+1;;;;;;;+5/p-6.
What are the key properties of diphenyl-(2,4,6-trimethylphenyl)sulfanium;hexafluoroantimony(1-)?
diphenyl-(2,4,6-trimethylphenyl)sulfanium;hexafluoroantimony(1-) has a molecular weight of 541.21 g/mol, XLogP of 7.85, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-(2,4,6-trimethylphenyl)sulfanium;hexafluoroantimony(1-) is sourced from PubChem (CID 23133103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).