bis(4-hydroxyphenyl)-phenylsulfanium hexafluorophosphate

C18H15F6O2PS — CID 23132993

IUPACbis(4-hydroxyphenyl)-phenylsulfanium hexafluorophosphate
SMILESF[P-](F)(F)(F)(F)F.Oc1ccc([S+](c2ccccc2)c2ccc(O)cc2)cc1
InChIInChI=1S/C18H14O2S.F6P/c19-14-6-10-17(11-7-14)21(16-4-2-1-3-5-16)18-12-8-15(20)9-13-18;1-7(2,3,4,5)6/h1-13H,(H-,19,20);/q;-1/p+1
InChIKeyNXLPKZDZTIPJCM-UHFFFAOYSA-O
MW440.35 g/mol
LogP7.58
Rot. Bonds3

About bis(4-hydroxyphenyl)-phenylsulfanium hexafluorophosphate

bis(4-hydroxyphenyl)-phenylsulfanium hexafluorophosphate (PubChem CID 23132993) has the molecular formula C18H15F6O2PS and a molecular weight of 440.35 g/mol. Its IUPAC name is bis(4-hydroxyphenyl)-phenylsulfanium hexafluorophosphate.

Molecular Properties

Compound Namebis(4-hydroxyphenyl)-phenylsulfanium hexafluorophosphate
PubChem CID23132993
Molecular FormulaC18H15F6O2PS
Molecular Weight440.35 g/mol
Exact Mass440.04
IUPAC Namebis(4-hydroxyphenyl)-phenylsulfanium hexafluorophosphate
SMILESF[P-](F)(F)(F)(F)F.Oc1ccc([S+](c2ccccc2)c2ccc(O)cc2)cc1
InChIInChI=1S/C18H14O2S.F6P/c19-14-6-10-17(11-7-14)21(16-4-2-1-3-5-16)18-12-8-15(20)9-13-18;1-7(2,3,4,5)6/h1-13H,(H-,19,20);/q;-1/p+1
InChIKeyNXLPKZDZTIPJCM-UHFFFAOYSA-O
XLogP7.58
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.35
LogP ≤ 57.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bis(4-hydroxyphenyl)-phenylsulfanium
CID 14453763
hydrogen carbonate;tris(4-hydroxyphenyl)sulfanium
CID 158302778
bis(4-hydroxyphenyl)-phenylsulfanium;2,3,4,5,6-pentafluorobenzenesulfonate
CID 23133190
bis(4-hydroxyphenyl)-phenylsulfanium;(4-hydroxyphenyl)-diphenylsulfanium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;tris(4-hydroxyphenyl)sulfanium
CID 159429965
bis(4-hydroxyphenyl)-(4-methylphenyl)sulfanium
CID 22901782
bis[4-(2-hydroxyethoxy)phenyl]-phenylsulfanium hexafluorophosphate
CID 141214793
(4-fluorophenyl)-diphenylsulfanium
CID 3497654
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate;(4-hydroxyphenyl)-diphenylsulfanium
CID 22023924
[4-(2-bromo-2-methylpropanoyl)oxyphenyl]-(4-hydroxyphenyl)-phenylsulfanium
CID 156684040
(2,4-dihydroxyphenyl)-diphenylsulfanium
CID 22057240
benzene-1,4-diol;bis(1,1'-biphenyl)
CID 161250566
1,1-difluoro-2-[4-[(4-hydroxyphenyl)-phenylsulfonio]phenoxy]ethanesulfonate
CID 154594518

Frequently Asked Questions

What is the IUPAC name of bis(4-hydroxyphenyl)-phenylsulfanium hexafluorophosphate?
The IUPAC name of bis(4-hydroxyphenyl)-phenylsulfanium hexafluorophosphate (CID 23132993) is bis(4-hydroxyphenyl)-phenylsulfanium hexafluorophosphate.
What is the SMILES notation for bis(4-hydroxyphenyl)-phenylsulfanium hexafluorophosphate?
The canonical SMILES for bis(4-hydroxyphenyl)-phenylsulfanium hexafluorophosphate is F[P-](F)(F)(F)(F)F.Oc1ccc([S+](c2ccccc2)c2ccc(O)cc2)cc1.
What is the InChIKey of bis(4-hydroxyphenyl)-phenylsulfanium hexafluorophosphate?
The InChIKey is NXLPKZDZTIPJCM-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H14O2S.F6P/c19-14-6-10-17(11-7-14)21(16-4-2-1-3-5-16)18-12-8-15(20)9-13-18;1-7(2,3,4,5)6/h1-13H,(H-,19,20);/q;-1/p+1.
What are the key properties of bis(4-hydroxyphenyl)-phenylsulfanium hexafluorophosphate?
bis(4-hydroxyphenyl)-phenylsulfanium hexafluorophosphate has a molecular weight of 440.35 g/mol, XLogP of 7.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-hydroxyphenyl)-phenylsulfanium hexafluorophosphate is sourced from PubChem (CID 23132993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).