[3-(2,3,4,5,6-pentafluorophenoxy)carbonylphenyl]-diphenylsulfanium

C25H14F5O2S+ — CID 171721590

IUPAC[3-(2,3,4,5,6-pentafluorophenoxy)carbonylphenyl]-diphenylsulfanium
SMILESO=C(Oc1c(F)c(F)c(F)c(F)c1F)c1cccc([S+](c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C25H14F5O2S/c26-19-20(27)22(29)24(23(30)21(19)28)32-25(31)15-8-7-13-18(14-15)33(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14H/q+1
InChIKeyLFTODJOHUGLWPV-UHFFFAOYSA-N
MW473.44 g/mol
LogP6.70
Rot. Bonds5

About [3-(2,3,4,5,6-pentafluorophenoxy)carbonylphenyl]-diphenylsulfanium

[3-(2,3,4,5,6-pentafluorophenoxy)carbonylphenyl]-diphenylsulfanium (PubChem CID 171721590) has the molecular formula C25H14F5O2S+ and a molecular weight of 473.44 g/mol. Its IUPAC name is [3-(2,3,4,5,6-pentafluorophenoxy)carbonylphenyl]-diphenylsulfanium.

Molecular Properties

Compound Name[3-(2,3,4,5,6-pentafluorophenoxy)carbonylphenyl]-diphenylsulfanium
PubChem CID171721590
Molecular FormulaC25H14F5O2S+
Molecular Weight473.44 g/mol
Exact Mass473.06
IUPAC Name[3-(2,3,4,5,6-pentafluorophenoxy)carbonylphenyl]-diphenylsulfanium
SMILESO=C(Oc1c(F)c(F)c(F)c(F)c1F)c1cccc([S+](c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C25H14F5O2S/c26-19-20(27)22(29)24(23(30)21(19)28)32-25(31)15-8-7-13-18(14-15)33(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14H/q+1
InChIKeyLFTODJOHUGLWPV-UHFFFAOYSA-N
XLogP6.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.44
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze [3-(2,3,4,5,6-pentafluorophenoxy)carbonylphenyl]-diphenylsulfanium 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

diphenyl-[3-(2,3,4,5-tetrafluorophenoxy)carbonylphenyl]sulfanium
CID 171721648
(3-methoxycarbonylphenyl)-(4-methoxycarbonylphenyl)-phenylsulfanium
CID 171721849
bis(3-methoxycarbonylphenyl)-(4-methoxycarbonylphenyl)sulfanium
CID 171721845
[3-[2-(3,5-difluorophenyl)propan-2-yloxycarbonyl]phenyl]-diphenylsulfanium
CID 169017403
[3-(1,1,1,3,3,3-hexafluoropropan-2-yloxycarbonyl)phenyl]-diphenylsulfanium
CID 164746718
[3-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenoxy]carbonylphenyl]-diphenylsulfanium
CID 171721777
[3-[2-(3-fluorophenyl)propan-2-yloxycarbonyl]phenyl]-diphenylsulfanium
CID 169017864
diphenyl-[3-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]carbonylphenyl]sulfanium
CID 171589936
(2,3,4,5,6-pentafluorophenyl) 3-(2-amino-1-hydrazinylethenyl)benzoate
CID 153376136
[3-(2-methyl-4-phenylbut-3-yn-2-yl)oxycarbonylphenyl]-diphenylsulfanium
CID 169051330
(2,3,4,5,6-pentafluorophenyl) 4-[hydroxy(diphenyl)methyl]benzoate
CID 89011726
[3,5-bis(methoxycarbonyl)phenyl]-diphenylsulfanium
CID 171721708

Frequently Asked Questions

What is the IUPAC name of [3-(2,3,4,5,6-pentafluorophenoxy)carbonylphenyl]-diphenylsulfanium?
The IUPAC name of [3-(2,3,4,5,6-pentafluorophenoxy)carbonylphenyl]-diphenylsulfanium (CID 171721590) is [3-(2,3,4,5,6-pentafluorophenoxy)carbonylphenyl]-diphenylsulfanium.
What is the SMILES notation for [3-(2,3,4,5,6-pentafluorophenoxy)carbonylphenyl]-diphenylsulfanium?
The canonical SMILES for [3-(2,3,4,5,6-pentafluorophenoxy)carbonylphenyl]-diphenylsulfanium is O=C(Oc1c(F)c(F)c(F)c(F)c1F)c1cccc([S+](c2ccccc2)c2ccccc2)c1.
What is the InChIKey of [3-(2,3,4,5,6-pentafluorophenoxy)carbonylphenyl]-diphenylsulfanium?
The InChIKey is LFTODJOHUGLWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H14F5O2S/c26-19-20(27)22(29)24(23(30)21(19)28)32-25(31)15-8-7-13-18(14-15)33(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14H/q+1.
What are the key properties of [3-(2,3,4,5,6-pentafluorophenoxy)carbonylphenyl]-diphenylsulfanium?
[3-(2,3,4,5,6-pentafluorophenoxy)carbonylphenyl]-diphenylsulfanium has a molecular weight of 473.44 g/mol, XLogP of 6.70, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,3,4,5,6-pentafluorophenoxy)carbonylphenyl]-diphenylsulfanium is sourced from PubChem (CID 171721590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).