dibenzyl(phenyl)sulfanium tetrafluoroborate

C20H19BF4S — CID 19795269

IUPACdibenzyl(phenyl)sulfanium tetrafluoroborate
SMILESF[B-](F)(F)F.c1ccc(C[S+](Cc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C20H19S.BF4/c1-4-10-18(11-5-1)16-21(20-14-8-3-9-15-20)17-19-12-6-2-7-13-19;2-1(3,4)5/h1-15H,16-17H2;/q+1;-1
InChIKeyAWAIANXCUFZPLY-UHFFFAOYSA-N
MW378.24 g/mol
LogP6.36
Rot. Bonds5

About dibenzyl(phenyl)sulfanium tetrafluoroborate

dibenzyl(phenyl)sulfanium tetrafluoroborate (PubChem CID 19795269) has the molecular formula C20H19BF4S and a molecular weight of 378.24 g/mol. Its IUPAC name is dibenzyl(phenyl)sulfanium tetrafluoroborate.

Molecular Properties

Compound Namedibenzyl(phenyl)sulfanium tetrafluoroborate
PubChem CID19795269
Molecular FormulaC20H19BF4S
Molecular Weight378.24 g/mol
Exact Mass378.12
IUPAC Namedibenzyl(phenyl)sulfanium tetrafluoroborate
SMILESF[B-](F)(F)F.c1ccc(C[S+](Cc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C20H19S.BF4/c1-4-10-18(11-5-1)16-21(20-14-8-3-9-15-20)17-19-12-6-2-7-13-19;2-1(3,4)5/h1-15H,16-17H2;/q+1;-1
InChIKeyAWAIANXCUFZPLY-UHFFFAOYSA-N
XLogP6.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.24
LogP ≤ 56.36
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'}

Analyze dibenzyl(phenyl)sulfanium tetrafluoroborate 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

antimony(5+);dibenzyl(phenyl)sulfanium;hexafluoride
CID 170839039
benzyl(diphenyl)sulfanium tetrafluoroborate
CID 11485309
dibenzyl-(4-hydroxyphenyl)sulfanium
CID 18182968
dibenzyl(dimethoxymethyl)sulfanium tetrafluoroborate
CID 134928597
benzyl-ethyl-(4-hydroxyphenyl)sulfanium;hexafluoroarsenic(1-)
CID 14876330
benzyl(ethenyl)phosphanium tetrafluoroborate
CID 139776682
benzyl(phenyl)iodanium tetrafluoroborate
CID 134880627
potassium;hydride;2-phenylethanol;tritetrafluoroborate
CID 173023580
tribenzylsulfanium perchlorate
CID 158591574
benzyl(diethyl)sulfanium chloride
CID 23454507
benzyl(diethyl)sulfanium hydroxide
CID 161058007
bis(4-fluorophenyl)-phenylsulfanium tetrafluoroborate
CID 23133077

Frequently Asked Questions

What is the IUPAC name of dibenzyl(phenyl)sulfanium tetrafluoroborate?
The IUPAC name of dibenzyl(phenyl)sulfanium tetrafluoroborate (CID 19795269) is dibenzyl(phenyl)sulfanium tetrafluoroborate.
What is the SMILES notation for dibenzyl(phenyl)sulfanium tetrafluoroborate?
The canonical SMILES for dibenzyl(phenyl)sulfanium tetrafluoroborate is F[B-](F)(F)F.c1ccc(C[S+](Cc2ccccc2)c2ccccc2)cc1.
What is the InChIKey of dibenzyl(phenyl)sulfanium tetrafluoroborate?
The InChIKey is AWAIANXCUFZPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19S.BF4/c1-4-10-18(11-5-1)16-21(20-14-8-3-9-15-20)17-19-12-6-2-7-13-19;2-1(3,4)5/h1-15H,16-17H2;/q+1;-1.
What are the key properties of dibenzyl(phenyl)sulfanium tetrafluoroborate?
dibenzyl(phenyl)sulfanium tetrafluoroborate has a molecular weight of 378.24 g/mol, XLogP of 6.36, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzyl(phenyl)sulfanium tetrafluoroborate is sourced from PubChem (CID 19795269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).