[4-[2-(3,5-difluorophenoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium;2,8-difluoro-5-[4-(trifluoromethyl)phenyl]dibenzothiophen-5-ium;3,7-difluoro-10-[4-(trifluoromethyl)phenyl]phenoxathiin-10-ium;3,7-difluoro-10-[4-(trifluoromethyl)phenyl]thianthren-10-ium 5,5-dioxide;3,7-difluoro-10-[4-(trifluoromethyl)phenyl]thianthren-10-ium 5-oxide;[4-[2-(4-fluorophenoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium

C128H79F23O10S8+6 — CID 167711171

IUPAC[4-[2-(3,5-difluorophenoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium;2,8-difluoro-5-[4-(trifluoromethyl)phenyl]dibenzothiophen-5-ium;3,7-difluoro-10-[4-(trifluoromethyl)phenyl]phenoxathiin-10-ium;3,7-difluoro-10-[4-(trifluoromethyl)phenyl]thianthren-10-ium 5,5-dioxide;3,7-difluoro-10-[4-(trifluoromethyl)phenyl]thianthren-10-ium 5-oxide;[4-[2-(4-fluorophenoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium
SMILESFc1ccc2c(c1)Oc1cc(F)ccc1[S+]2c1ccc(C(F)(F)F)cc1.Fc1ccc2c(c1)c1cc(F)ccc1[s+]2-c1ccc(C(F)(F)F)cc1.O=C(COc1ccc([S+](c2ccccc2)c2ccccc2)cc1)Oc1cc(F)cc(F)c1.O=C(COc1ccc([S+](c2ccccc2)c2ccccc2)cc1)Oc1ccc(F)cc1.O=S1(=O)c2cc(F)ccc2[S+](c2ccc(C(F)(F)F)cc2)c2ccc(F)cc21.O=S1c2cc(F)ccc2[S+](c2ccc(C(F)(F)F)cc2)c2ccc(F)cc21
InChIInChI=1S/C26H19F2O3S.C26H20FO3S.C19H10F5O2S2.C19H10F5OS2.C19H10F5OS.C19H10F5S/c27-19-15-20(28)17-22(16-19)31-26(29)18-30-21-11-13-25(14-12-21)32(23-7-3-1-4-8-23)24-9-5-2-6-10-24;27-20-11-13-22(14-12-20)30-26(28)19-29-21-15-17-25(18-16-21)31(23-7-3-1-4-8-23)24-9-5-2-6-10-24;20-12-3-7-15-17(9-12)28(25,26)18-10-13(21)4-8-16(18)27(15)14-5-1-11(2-6-14)19(22,23)24;20-12-3-7-15-17(9-12)27(25)18-10-13(21)4-8-16(18)26(15)14-5-1-11(2-6-14)19(22,23)24;20-12-3-7-17-15(9-12)25-16-10-13(21)4-8-18(16)26(17)14-5-1-11(2-6-14)19(22,23)24;20-12-3-7-17-15(9-12)16-10-13(21)4-8-18(16)25(17)14-5-1-11(2-6-14)19(22,23)24/h1-17H,18H2;1-18H,19H2;1-10H;1-10H;1-10H;1-10H/q6*+1
InChIKeyZVYWPGXKPMJCGW-UHFFFAOYSA-N
MW2470.52 g/mol
LogP35.95
Rot. Bonds18

About [4-[2-(3,5-difluorophenoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium;2,8-difluoro-5-[4-(trifluoromethyl)phenyl]dibenzothiophen-5-ium;3,7-difluoro-10-[4-(trifluoromethyl)phenyl]phenoxathiin-10-ium;3,7-difluoro-10-[4-(trifluoromethyl)phenyl]thianthren-10-ium 5,5-dioxide;3,7-difluoro-10-[4-(trifluoromethyl)phenyl]thianthren-10-ium 5-oxide;[4-[2-(4-fluorophenoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium

[4-[2-(3,5-difluorophenoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium;2,8-difluoro-5-[4-(trifluoromethyl)phenyl]dibenzothiophen-5-ium;3,7-difluoro-10-[4-(trifluoromethyl)phenyl]phenoxathiin-10-ium;3,7-difluoro-10-[4-(trifluoromethyl)phenyl]thianthren-10-ium 5,5-dioxide;3,7-difluoro-10-[4-(trifluoromethyl)phenyl]thianthren-10-ium 5-oxide;[4-[2-(4-fluorophenoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium (PubChem CID 167711171) has the molecular formula C128H79F23O10S8+6 and a molecular weight of 2470.52 g/mol. Its IUPAC name is [4-[2-(3,5-difluorophenoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium;2,8-difluoro-5-[4-(trifluoromethyl)phenyl]dibenzothiophen-5-ium;3,7-difluoro-10-[4-(trifluoromethyl)phenyl]phenoxathiin-10-ium;3,7-difluoro-10-[4-(trifluoromethyl)phenyl]thianthren-10-ium 5,5-dioxide;3,7-difluoro-10-[4-(trifluoromethyl)phenyl]thianthren-10-ium 5-oxide;[4-[2-(4-fluorophenoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium.

Molecular Properties

Compound Name[4-[2-(3,5-difluorophenoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium;2,8-difluoro-5-[4-(trifluoromethyl)phenyl]dibenzothiophen-5-ium;3,7-difluoro-10-[4-(trifluoromethyl)phenyl]phenoxathiin-10-ium;3,7-difluoro-10-[4-(trifluoromethyl)phenyl]thianthren-10-ium 5,5-dioxide;3,7-difluoro-10-[4-(trifluoromethyl)phenyl]thianthren-10-ium 5-oxide;[4-[2-(4-fluorophenoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium
PubChem CID167711171
Molecular FormulaC128H79F23O10S8+6
Molecular Weight2470.52 g/mol
Exact Mass2468.30
IUPAC Name[4-[2-(3,5-difluorophenoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium;2,8-difluoro-5-[4-(trifluoromethyl)phenyl]dibenzothiophen-5-ium;3,7-difluoro-10-[4-(trifluoromethyl)phenyl]phenoxathiin-10-ium;3,7-difluoro-10-[4-(trifluoromethyl)phenyl]thianthren-10-ium 5,5-dioxide;3,7-difluoro-10-[4-(trifluoromethyl)phenyl]thianthren-10-ium 5-oxide;[4-[2-(4-fluorophenoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium
SMILESFc1ccc2c(c1)Oc1cc(F)ccc1[S+]2c1ccc(C(F)(F)F)cc1.Fc1ccc2c(c1)c1cc(F)ccc1[s+]2-c1ccc(C(F)(F)F)cc1.O=C(COc1ccc([S+](c2ccccc2)c2ccccc2)cc1)Oc1cc(F)cc(F)c1.O=C(COc1ccc([S+](c2ccccc2)c2ccccc2)cc1)Oc1ccc(F)cc1.O=S1(=O)c2cc(F)ccc2[S+](c2ccc(C(F)(F)F)cc2)c2ccc(F)cc21.O=S1c2cc(F)ccc2[S+](c2ccc(C(F)(F)F)cc2)c2ccc(F)cc21
InChIInChI=1S/C26H19F2O3S.C26H20FO3S.C19H10F5O2S2.C19H10F5OS2.C19H10F5OS.C19H10F5S/c27-19-15-20(28)17-22(16-19)31-26(29)18-30-21-11-13-25(14-12-21)32(23-7-3-1-4-8-23)24-9-5-2-6-10-24;27-20-11-13-22(14-12-20)30-26(28)19-29-21-15-17-25(18-16-21)31(23-7-3-1-4-8-23)24-9-5-2-6-10-24;20-12-3-7-15-17(9-12)28(25,26)18-10-13(21)4-8-16(18)27(15)14-5-1-11(2-6-14)19(22,23)24;20-12-3-7-15-17(9-12)27(25)18-10-13(21)4-8-16(18)26(15)14-5-1-11(2-6-14)19(22,23)24;20-12-3-7-17-15(9-12)25-16-10-13(21)4-8-18(16)26(17)14-5-1-11(2-6-14)19(22,23)24;20-12-3-7-17-15(9-12)16-10-13(21)4-8-18(16)25(17)14-5-1-11(2-6-14)19(22,23)24/h1-17H,18H2;1-18H,19H2;1-10H;1-10H;1-10H;1-10H/q6*+1
InChIKeyZVYWPGXKPMJCGW-UHFFFAOYSA-N
XLogP35.95
TPSA131.50 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds18
Heavy Atoms169
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002470.52
LogP ≤ 535.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze [4-[2-(3,5-difluorophenoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium;2,8-difluoro-5-[4-(trifluoromethyl)phenyl]dibenzothiophen-5-ium;3,7-difluoro-10-[4-(trifluoromethyl)phenyl]phenoxathiin-10-ium;3,7-difluoro-10-[4-(trifluoromethyl)phenyl]thianthren-10-ium 5,5-dioxide;3,7-difluoro-10-[4-(trifluoromethyl)phenyl]thianthren-10-ium 5-oxide;[4-[2-(4-fluorophenoxy)-2-oxoethoxy]phenyl]-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

Frequently Asked Questions

What is the IUPAC name of [4-[2-(3,5-difluorophenoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium;2,8-difluoro-5-[4-(trifluoromethyl)phenyl]dibenzothiophen-5-ium;3,7-difluoro-10-[4-(trifluoromethyl)phenyl]phenoxathiin-10-ium;3,7-difluoro-10-[4-(trifluoromethyl)phenyl]thianthren-10-ium 5,5-dioxide;3,7-difluoro-10-[4-(trifluoromethyl)phenyl]thianthren-10-ium 5-oxide;[4-[2-(4-fluorophenoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium?
The IUPAC name of [4-[2-(3,5-difluorophenoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium;2,8-difluoro-5-[4-(trifluoromethyl)phenyl]dibenzothiophen-5-ium;3,7-difluoro-10-[4-(trifluoromethyl)phenyl]phenoxathiin-10-ium;3,7-difluoro-10-[4-(trifluoromethyl)phenyl]thianthren-10-ium 5,5-dioxide;3,7-difluoro-10-[4-(trifluoromethyl)phenyl]thianthren-10-ium 5-oxide;[4-[2-(4-fluorophenoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium (CID 167711171) is [4-[2-(3,5-difluorophenoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium;2,8-difluoro-5-[4-(trifluoromethyl)phenyl]dibenzothiophen-5-ium;3,7-difluoro-10-[4-(trifluoromethyl)phenyl]phenoxathiin-10-ium;3,7-difluoro-10-[4-(trifluoromethyl)phenyl]thianthren-10-ium 5,5-dioxide;3,7-difluoro-10-[4-(trifluoromethyl)phenyl]thianthren-10-ium 5-oxide;[4-[2-(4-fluorophenoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium.
What is the SMILES notation for [4-[2-(3,5-difluorophenoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium;2,8-difluoro-5-[4-(trifluoromethyl)phenyl]dibenzothiophen-5-ium;3,7-difluoro-10-[4-(trifluoromethyl)phenyl]phenoxathiin-10-ium;3,7-difluoro-10-[4-(trifluoromethyl)phenyl]thianthren-10-ium 5,5-dioxide;3,7-difluoro-10-[4-(trifluoromethyl)phenyl]thianthren-10-ium 5-oxide;[4-[2-(4-fluorophenoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium?
The canonical SMILES for [4-[2-(3,5-difluorophenoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium;2,8-difluoro-5-[4-(trifluoromethyl)phenyl]dibenzothiophen-5-ium;3,7-difluoro-10-[4-(trifluoromethyl)phenyl]phenoxathiin-10-ium;3,7-difluoro-10-[4-(trifluoromethyl)phenyl]thianthren-10-ium 5,5-dioxide;3,7-difluoro-10-[4-(trifluoromethyl)phenyl]thianthren-10-ium 5-oxide;[4-[2-(4-fluorophenoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium is Fc1ccc2c(c1)Oc1cc(F)ccc1[S+]2c1ccc(C(F)(F)F)cc1.Fc1ccc2c(c1)c1cc(F)ccc1[s+]2-c1ccc(C(F)(F)F)cc1.O=C(COc1ccc([S+](c2ccccc2)c2ccccc2)cc1)Oc1cc(F)cc(F)c1.O=C(COc1ccc([S+](c2ccccc2)c2ccccc2)cc1)Oc1ccc(F)cc1.O=S1(=O)c2cc(F)ccc2[S+](c2ccc(C(F)(F)F)cc2)c2ccc(F)cc21.O=S1c2cc(F)ccc2[S+](c2ccc(C(F)(F)F)cc2)c2ccc(F)cc21.
What is the InChIKey of [4-[2-(3,5-difluorophenoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium;2,8-difluoro-5-[4-(trifluoromethyl)phenyl]dibenzothiophen-5-ium;3,7-difluoro-10-[4-(trifluoromethyl)phenyl]phenoxathiin-10-ium;3,7-difluoro-10-[4-(trifluoromethyl)phenyl]thianthren-10-ium 5,5-dioxide;3,7-difluoro-10-[4-(trifluoromethyl)phenyl]thianthren-10-ium 5-oxide;[4-[2-(4-fluorophenoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium?
The InChIKey is ZVYWPGXKPMJCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F2O3S.C26H20FO3S.C19H10F5O2S2.C19H10F5OS2.C19H10F5OS.C19H10F5S/c27-19-15-20(28)17-22(16-19)31-26(29)18-30-21-11-13-25(14-12-21)32(23-7-3-1-4-8-23)24-9-5-2-6-10-24;27-20-11-13-22(14-12-20)30-26(28)19-29-21-15-17-25(18-16-21)31(23-7-3-1-4-8-23)24-9-5-2-6-10-24;20-12-3-7-15-17(9-12)28(25,26)18-10-13(21)4-8-16(18)27(15)14-5-1-11(2-6-14)19(22,23)24;20-12-3-7-15-17(9-12)27(25)18-10-13(21)4-8-16(18)26(15)14-5-1-11(2-6-14)19(22,23)24;20-12-3-7-17-15(9-12)25-16-10-13(21)4-8-18(16)26(17)14-5-1-11(2-6-14)19(22,23)24;20-12-3-7-17-15(9-12)16-10-13(21)4-8-18(16)25(17)14-5-1-11(2-6-14)19(22,23)24/h1-17H,18H2;1-18H,19H2;1-10H;1-10H;1-10H;1-10H/q6*+1.
What are the key properties of [4-[2-(3,5-difluorophenoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium;2,8-difluoro-5-[4-(trifluoromethyl)phenyl]dibenzothiophen-5-ium;3,7-difluoro-10-[4-(trifluoromethyl)phenyl]phenoxathiin-10-ium;3,7-difluoro-10-[4-(trifluoromethyl)phenyl]thianthren-10-ium 5,5-dioxide;3,7-difluoro-10-[4-(trifluoromethyl)phenyl]thianthren-10-ium 5-oxide;[4-[2-(4-fluorophenoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium?
[4-[2-(3,5-difluorophenoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium;2,8-difluoro-5-[4-(trifluoromethyl)phenyl]dibenzothiophen-5-ium;3,7-difluoro-10-[4-(trifluoromethyl)phenyl]phenoxathiin-10-ium;3,7-difluoro-10-[4-(trifluoromethyl)phenyl]thianthren-10-ium 5,5-dioxide;3,7-difluoro-10-[4-(trifluoromethyl)phenyl]thianthren-10-ium 5-oxide;[4-[2-(4-fluorophenoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium has a molecular weight of 2470.52 g/mol, XLogP of 35.95, 18 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(3,5-difluorophenoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium;2,8-difluoro-5-[4-(trifluoromethyl)phenyl]dibenzothiophen-5-ium;3,7-difluoro-10-[4-(trifluoromethyl)phenyl]phenoxathiin-10-ium;3,7-difluoro-10-[4-(trifluoromethyl)phenyl]thianthren-10-ium 5,5-dioxide;3,7-difluoro-10-[4-(trifluoromethyl)phenyl]thianthren-10-ium 5-oxide;[4-[2-(4-fluorophenoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium is sourced from PubChem (CID 167711171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).