hexafluoroantimony(1-);(4-methoxyphenyl)-methyl-(naphthalen-1-ylmethyl)sulfanium

C19H19F6OSSb — CID 19969018

IUPAChexafluoroantimony(1-);(4-methoxyphenyl)-methyl-(naphthalen-1-ylmethyl)sulfanium
SMILESCOc1ccc([S+](C)Cc2cccc3ccccc23)cc1.F[Sb-](F)(F)(F)(F)F
InChIInChI=1S/C19H19OS.6FH.Sb/c1-20-17-10-12-18(13-11-17)21(2)14-16-8-5-7-15-6-3-4-9-19(15)16;;;;;;;/h3-13H,14H2,1-2H3;6*1H;/q+1;;;;;;;+5/p-6
InChIKeyRRUJJDACCNUTGH-UHFFFAOYSA-H
MW531.18 g/mol
LogP6.80
Rot. Bonds4

About hexafluoroantimony(1-);(4-methoxyphenyl)-methyl-(naphthalen-1-ylmethyl)sulfanium

hexafluoroantimony(1-);(4-methoxyphenyl)-methyl-(naphthalen-1-ylmethyl)sulfanium (PubChem CID 19969018) has the molecular formula C19H19F6OSSb and a molecular weight of 531.18 g/mol. Its IUPAC name is hexafluoroantimony(1-);(4-methoxyphenyl)-methyl-(naphthalen-1-ylmethyl)sulfanium.

Molecular Properties

Compound Namehexafluoroantimony(1-);(4-methoxyphenyl)-methyl-(naphthalen-1-ylmethyl)sulfanium
PubChem CID19969018
Molecular FormulaC19H19F6OSSb
Molecular Weight531.18 g/mol
Exact Mass530.01
IUPAC Namehexafluoroantimony(1-);(4-methoxyphenyl)-methyl-(naphthalen-1-ylmethyl)sulfanium
SMILESCOc1ccc([S+](C)Cc2cccc3ccccc23)cc1.F[Sb-](F)(F)(F)(F)F
InChIInChI=1S/C19H19OS.6FH.Sb/c1-20-17-10-12-18(13-11-17)21(2)14-16-8-5-7-15-6-3-4-9-19(15)16;;;;;;;/h3-13H,14H2,1-2H3;6*1H;/q+1;;;;;;;+5/p-6
InChIKeyRRUJJDACCNUTGH-UHFFFAOYSA-H
XLogP6.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.18
LogP ≤ 56.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

hexafluoroantimony(1-);(4-hydroxyphenyl)-methyl-(naphthalen-1-ylmethyl)sulfanium
CID 19969039
(4-hydroxyphenyl)-methyl-(naphthalen-1-ylmethyl)sulfanium chloride
CID 18959076
dimethyl(naphthalen-1-ylmethyl)sulfanium
CID 22005433
1-benzyl-4-methoxybenzene;hexafluoroantimony(1-);hydron
CID 158050824
(6-methoxynaphthalen-1-yl)methanethiol
CID 45117105
2-(4-methoxyphenyl)-N-(naphthalen-1-ylmethyl)ethanamine
CID 2063744
benzyl-(4-hydroxyphenyl)-methylsulfanium;naphthalen-1-ylmethyl sulfate
CID 161046977
(2-methoxyphenyl) 2-naphthalen-1-ylacetate
CID 836864
2-(4-methoxyphenoxy)-N-(naphthalen-1-ylmethyl)acetamide
CID 95945546
ethyl-(4-methoxyphenyl)-phenylsulfanium
CID 154467507
1-(4-methoxyphenyl)-N-methyl-N-(naphthalen-1-ylmethyl)propan-2-amine
CID 2845235
N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 51163773

Frequently Asked Questions

What is the IUPAC name of hexafluoroantimony(1-);(4-methoxyphenyl)-methyl-(naphthalen-1-ylmethyl)sulfanium?
The IUPAC name of hexafluoroantimony(1-);(4-methoxyphenyl)-methyl-(naphthalen-1-ylmethyl)sulfanium (CID 19969018) is hexafluoroantimony(1-);(4-methoxyphenyl)-methyl-(naphthalen-1-ylmethyl)sulfanium.
What is the SMILES notation for hexafluoroantimony(1-);(4-methoxyphenyl)-methyl-(naphthalen-1-ylmethyl)sulfanium?
The canonical SMILES for hexafluoroantimony(1-);(4-methoxyphenyl)-methyl-(naphthalen-1-ylmethyl)sulfanium is COc1ccc([S+](C)Cc2cccc3ccccc23)cc1.F[Sb-](F)(F)(F)(F)F.
What is the InChIKey of hexafluoroantimony(1-);(4-methoxyphenyl)-methyl-(naphthalen-1-ylmethyl)sulfanium?
The InChIKey is RRUJJDACCNUTGH-UHFFFAOYSA-H. The full InChI is InChI=1S/C19H19OS.6FH.Sb/c1-20-17-10-12-18(13-11-17)21(2)14-16-8-5-7-15-6-3-4-9-19(15)16;;;;;;;/h3-13H,14H2,1-2H3;6*1H;/q+1;;;;;;;+5/p-6.
What are the key properties of hexafluoroantimony(1-);(4-methoxyphenyl)-methyl-(naphthalen-1-ylmethyl)sulfanium?
hexafluoroantimony(1-);(4-methoxyphenyl)-methyl-(naphthalen-1-ylmethyl)sulfanium has a molecular weight of 531.18 g/mol, XLogP of 6.80, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hexafluoroantimony(1-);(4-methoxyphenyl)-methyl-(naphthalen-1-ylmethyl)sulfanium is sourced from PubChem (CID 19969018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).