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

C18H17F6OSSb — CID 19969039

IUPAChexafluoroantimony(1-);(4-hydroxyphenyl)-methyl-(naphthalen-1-ylmethyl)sulfanium
SMILESC[S+](Cc1cccc2ccccc12)c1ccc(O)cc1.F[Sb-](F)(F)(F)(F)F
InChIInChI=1S/C18H16OS.6FH.Sb/c1-20(17-11-9-16(19)10-12-17)13-15-7-4-6-14-5-2-3-8-18(14)15;;;;;;;/h2-12H,13H2,1H3;6*1H;/q;;;;;;;+5/p-5
InChIKeyPXXVSCQTLPRULB-UHFFFAOYSA-I
MW517.15 g/mol
LogP6.49
Rot. Bonds3

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

hexafluoroantimony(1-);(4-hydroxyphenyl)-methyl-(naphthalen-1-ylmethyl)sulfanium (PubChem CID 19969039) has the molecular formula C18H17F6OSSb and a molecular weight of 517.15 g/mol. Its IUPAC name is hexafluoroantimony(1-);(4-hydroxyphenyl)-methyl-(naphthalen-1-ylmethyl)sulfanium.

Molecular Properties

Compound Namehexafluoroantimony(1-);(4-hydroxyphenyl)-methyl-(naphthalen-1-ylmethyl)sulfanium
PubChem CID19969039
Molecular FormulaC18H17F6OSSb
Molecular Weight517.15 g/mol
Exact Mass515.99
IUPAC Namehexafluoroantimony(1-);(4-hydroxyphenyl)-methyl-(naphthalen-1-ylmethyl)sulfanium
SMILESC[S+](Cc1cccc2ccccc12)c1ccc(O)cc1.F[Sb-](F)(F)(F)(F)F
InChIInChI=1S/C18H16OS.6FH.Sb/c1-20(17-11-9-16(19)10-12-17)13-15-7-4-6-14-5-2-3-8-18(14)15;;;;;;;/h2-12H,13H2,1H3;6*1H;/q;;;;;;;+5/p-5
InChIKeyPXXVSCQTLPRULB-UHFFFAOYSA-I
XLogP6.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.15
LogP ≤ 56.49
H-Bond Donors ≤ 51
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

(4-hydroxyphenyl)-methyl-(naphthalen-1-ylmethyl)sulfanium chloride
CID 18959076
hexafluoroantimony(1-);(4-methoxyphenyl)-methyl-(naphthalen-1-ylmethyl)sulfanium
CID 19969018
benzyl-(4-hydroxyphenyl)-methylsulfanium;naphthalen-1-ylmethyl sulfate
CID 161046977
dimethyl(naphthalen-1-ylmethyl)sulfanium
CID 22005433
(4-hydroxyphenyl)-methyl-naphthalen-1-ylsulfanium
CID 154141086
(4-hydroxyphenyl)-methyl-[(2-methylphenyl)methyl]sulfanium;trifluoromethanesulfonate
CID 87629763
4-(naphthalen-1-ylmethylamino)phenol
CID 918435
(4-hydroxyphenyl)methyl-(naphthalen-1-ylmethyl)sulfanium chloride
CID 157295509
[1-(4-hydroxyphenyl)-2-naphthalen-1-ylethyl]sulfanium hexafluorophosphate
CID 141276906
4-[(1-naphthalen-1-ylpropan-2-ylamino)methyl]phenol
CID 129056722
azane;1-ethylnaphthalene
CID 19048185
butane;naphthalen-1-ol
CID 142905950

Frequently Asked Questions

What is the IUPAC name of hexafluoroantimony(1-);(4-hydroxyphenyl)-methyl-(naphthalen-1-ylmethyl)sulfanium?
The IUPAC name of hexafluoroantimony(1-);(4-hydroxyphenyl)-methyl-(naphthalen-1-ylmethyl)sulfanium (CID 19969039) is hexafluoroantimony(1-);(4-hydroxyphenyl)-methyl-(naphthalen-1-ylmethyl)sulfanium.
What is the SMILES notation for hexafluoroantimony(1-);(4-hydroxyphenyl)-methyl-(naphthalen-1-ylmethyl)sulfanium?
The canonical SMILES for hexafluoroantimony(1-);(4-hydroxyphenyl)-methyl-(naphthalen-1-ylmethyl)sulfanium is C[S+](Cc1cccc2ccccc12)c1ccc(O)cc1.F[Sb-](F)(F)(F)(F)F.
What is the InChIKey of hexafluoroantimony(1-);(4-hydroxyphenyl)-methyl-(naphthalen-1-ylmethyl)sulfanium?
The InChIKey is PXXVSCQTLPRULB-UHFFFAOYSA-I. The full InChI is InChI=1S/C18H16OS.6FH.Sb/c1-20(17-11-9-16(19)10-12-17)13-15-7-4-6-14-5-2-3-8-18(14)15;;;;;;;/h2-12H,13H2,1H3;6*1H;/q;;;;;;;+5/p-5.
What are the key properties of hexafluoroantimony(1-);(4-hydroxyphenyl)-methyl-(naphthalen-1-ylmethyl)sulfanium?
hexafluoroantimony(1-);(4-hydroxyphenyl)-methyl-(naphthalen-1-ylmethyl)sulfanium has a molecular weight of 517.15 g/mol, XLogP of 6.49, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hexafluoroantimony(1-);(4-hydroxyphenyl)-methyl-(naphthalen-1-ylmethyl)sulfanium is sourced from PubChem (CID 19969039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).