[4-(2,4-difluorobenzoyl)oxyphenyl]-diphenylsulfanium;[4-(3,5-difluorobenzoyl)oxyphenyl]-diphenylsulfanium;diphenyl-[4-[4-(trifluoromethyl)benzoyl]oxyphenyl]sulfanium;[4-(4-fluorobenzoyl)oxyphenyl]-diphenylsulfanium;[4-[2-[2-hydroxy-4-(trifluoromethyl)phenoxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[2-oxo-2-(2,3,4,5-tetrafluoro-6-hydroxyphenoxy)ethoxy]phenyl]-diphenylsulfanium

C154H107F15O16S6+6 — CID 164998647

IUPAC[4-(2,4-difluorobenzoyl)oxyphenyl]-diphenylsulfanium;[4-(3,5-difluorobenzoyl)oxyphenyl]-diphenylsulfanium;diphenyl-[4-[4-(trifluoromethyl)benzoyl]oxyphenyl]sulfanium;[4-(4-fluorobenzoyl)oxyphenyl]-diphenylsulfanium;[4-[2-[2-hydroxy-4-(trifluoromethyl)phenoxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[2-oxo-2-(2,3,4,5-tetrafluoro-6-hydroxyphenoxy)ethoxy]phenyl]-diphenylsulfanium
SMILESO=C(COc1ccc([S+](c2ccccc2)c2ccccc2)cc1)Oc1c(O)c(F)c(F)c(F)c1F.O=C(COc1ccc([S+](c2ccccc2)c2ccccc2)cc1)Oc1ccc(C(F)(F)F)cc1O.O=C(Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1)c1cc(F)cc(F)c1.O=C(Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1)c1ccc(C(F)(F)F)cc1.O=C(Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1)c1ccc(F)cc1.O=C(Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1)c1ccc(F)cc1F
InChIInChI=1S/C27H19F3O4S.C26H16F4O4S.C26H18F3O2S.2C25H17F2O2S.C25H18FO2S/c28-27(29,30)19-11-16-25(24(31)17-19)34-26(32)18-33-20-12-14-23(15-13-20)35(21-7-3-1-4-8-21)22-9-5-2-6-10-22;27-21-22(28)24(30)26(25(32)23(21)29)34-20(31)15-33-16-11-13-19(14-12-16)35(17-7-3-1-4-8-17)18-9-5-2-6-10-18;27-26(28,29)20-13-11-19(12-14-20)25(30)31-21-15-17-24(18-16-21)32(22-7-3-1-4-8-22)23-9-5-2-6-10-23;26-18-11-16-23(24(27)17-18)25(28)29-19-12-14-22(15-13-19)30(20-7-3-1-4-8-20)21-9-5-2-6-10-21;26-19-15-18(16-20(27)17-19)25(28)29-21-11-13-24(14-12-21)30(22-7-3-1-4-8-22)23-9-5-2-6-10-23;26-20-13-11-19(12-14-20)25(27)28-21-15-17-24(18-16-21)29(22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-17H,18H2;1-14H,15H2;1-18H;2*1-17H;1-18H/q;;4*+1/p+2
InChIKeyHXIYLLOZWZTUHT-UHFFFAOYSA-P
MW2690.91 g/mol
LogP38.24
Rot. Bonds34

About [4-(2,4-difluorobenzoyl)oxyphenyl]-diphenylsulfanium;[4-(3,5-difluorobenzoyl)oxyphenyl]-diphenylsulfanium;diphenyl-[4-[4-(trifluoromethyl)benzoyl]oxyphenyl]sulfanium;[4-(4-fluorobenzoyl)oxyphenyl]-diphenylsulfanium;[4-[2-[2-hydroxy-4-(trifluoromethyl)phenoxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[2-oxo-2-(2,3,4,5-tetrafluoro-6-hydroxyphenoxy)ethoxy]phenyl]-diphenylsulfanium

[4-(2,4-difluorobenzoyl)oxyphenyl]-diphenylsulfanium;[4-(3,5-difluorobenzoyl)oxyphenyl]-diphenylsulfanium;diphenyl-[4-[4-(trifluoromethyl)benzoyl]oxyphenyl]sulfanium;[4-(4-fluorobenzoyl)oxyphenyl]-diphenylsulfanium;[4-[2-[2-hydroxy-4-(trifluoromethyl)phenoxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[2-oxo-2-(2,3,4,5-tetrafluoro-6-hydroxyphenoxy)ethoxy]phenyl]-diphenylsulfanium (PubChem CID 164998647) has the molecular formula C154H107F15O16S6+6 and a molecular weight of 2690.91 g/mol. Its IUPAC name is [4-(2,4-difluorobenzoyl)oxyphenyl]-diphenylsulfanium;[4-(3,5-difluorobenzoyl)oxyphenyl]-diphenylsulfanium;diphenyl-[4-[4-(trifluoromethyl)benzoyl]oxyphenyl]sulfanium;[4-(4-fluorobenzoyl)oxyphenyl]-diphenylsulfanium;[4-[2-[2-hydroxy-4-(trifluoromethyl)phenoxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[2-oxo-2-(2,3,4,5-tetrafluoro-6-hydroxyphenoxy)ethoxy]phenyl]-diphenylsulfanium.

Molecular Properties

Compound Name[4-(2,4-difluorobenzoyl)oxyphenyl]-diphenylsulfanium;[4-(3,5-difluorobenzoyl)oxyphenyl]-diphenylsulfanium;diphenyl-[4-[4-(trifluoromethyl)benzoyl]oxyphenyl]sulfanium;[4-(4-fluorobenzoyl)oxyphenyl]-diphenylsulfanium;[4-[2-[2-hydroxy-4-(trifluoromethyl)phenoxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[2-oxo-2-(2,3,4,5-tetrafluoro-6-hydroxyphenoxy)ethoxy]phenyl]-diphenylsulfanium
PubChem CID164998647
Molecular FormulaC154H107F15O16S6+6
Molecular Weight2690.91 g/mol
Exact Mass2688.56
IUPAC Name[4-(2,4-difluorobenzoyl)oxyphenyl]-diphenylsulfanium;[4-(3,5-difluorobenzoyl)oxyphenyl]-diphenylsulfanium;diphenyl-[4-[4-(trifluoromethyl)benzoyl]oxyphenyl]sulfanium;[4-(4-fluorobenzoyl)oxyphenyl]-diphenylsulfanium;[4-[2-[2-hydroxy-4-(trifluoromethyl)phenoxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[2-oxo-2-(2,3,4,5-tetrafluoro-6-hydroxyphenoxy)ethoxy]phenyl]-diphenylsulfanium
SMILESO=C(COc1ccc([S+](c2ccccc2)c2ccccc2)cc1)Oc1c(O)c(F)c(F)c(F)c1F.O=C(COc1ccc([S+](c2ccccc2)c2ccccc2)cc1)Oc1ccc(C(F)(F)F)cc1O.O=C(Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1)c1cc(F)cc(F)c1.O=C(Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1)c1ccc(C(F)(F)F)cc1.O=C(Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1)c1ccc(F)cc1.O=C(Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1)c1ccc(F)cc1F
InChIInChI=1S/C27H19F3O4S.C26H16F4O4S.C26H18F3O2S.2C25H17F2O2S.C25H18FO2S/c28-27(29,30)19-11-16-25(24(31)17-19)34-26(32)18-33-20-12-14-23(15-13-20)35(21-7-3-1-4-8-21)22-9-5-2-6-10-22;27-21-22(28)24(30)26(25(32)23(21)29)34-20(31)15-33-16-11-13-19(14-12-16)35(17-7-3-1-4-8-17)18-9-5-2-6-10-18;27-26(28,29)20-13-11-19(12-14-20)25(30)31-21-15-17-24(18-16-21)32(22-7-3-1-4-8-22)23-9-5-2-6-10-23;26-18-11-16-23(24(27)17-18)25(28)29-19-12-14-22(15-13-19)30(20-7-3-1-4-8-20)21-9-5-2-6-10-21;26-19-15-18(16-20(27)17-19)25(28)29-21-11-13-24(14-12-21)30(22-7-3-1-4-8-22)23-9-5-2-6-10-23;26-20-13-11-19(12-14-20)25(27)28-21-15-17-24(18-16-21)29(22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-17H,18H2;1-14H,15H2;1-18H;2*1-17H;1-18H/q;;4*+1/p+2
InChIKeyHXIYLLOZWZTUHT-UHFFFAOYSA-P
XLogP38.24
TPSA216.72 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds34
Heavy Atoms191
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002690.91
LogP ≤ 538.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

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 [4-(2,4-difluorobenzoyl)oxyphenyl]-diphenylsulfanium;[4-(3,5-difluorobenzoyl)oxyphenyl]-diphenylsulfanium;diphenyl-[4-[4-(trifluoromethyl)benzoyl]oxyphenyl]sulfanium;[4-(4-fluorobenzoyl)oxyphenyl]-diphenylsulfanium;[4-[2-[2-hydroxy-4-(trifluoromethyl)phenoxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[2-oxo-2-(2,3,4,5-tetrafluoro-6-hydroxyphenoxy)ethoxy]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

Frequently Asked Questions

What is the IUPAC name of [4-(2,4-difluorobenzoyl)oxyphenyl]-diphenylsulfanium;[4-(3,5-difluorobenzoyl)oxyphenyl]-diphenylsulfanium;diphenyl-[4-[4-(trifluoromethyl)benzoyl]oxyphenyl]sulfanium;[4-(4-fluorobenzoyl)oxyphenyl]-diphenylsulfanium;[4-[2-[2-hydroxy-4-(trifluoromethyl)phenoxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[2-oxo-2-(2,3,4,5-tetrafluoro-6-hydroxyphenoxy)ethoxy]phenyl]-diphenylsulfanium?
The IUPAC name of [4-(2,4-difluorobenzoyl)oxyphenyl]-diphenylsulfanium;[4-(3,5-difluorobenzoyl)oxyphenyl]-diphenylsulfanium;diphenyl-[4-[4-(trifluoromethyl)benzoyl]oxyphenyl]sulfanium;[4-(4-fluorobenzoyl)oxyphenyl]-diphenylsulfanium;[4-[2-[2-hydroxy-4-(trifluoromethyl)phenoxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[2-oxo-2-(2,3,4,5-tetrafluoro-6-hydroxyphenoxy)ethoxy]phenyl]-diphenylsulfanium (CID 164998647) is [4-(2,4-difluorobenzoyl)oxyphenyl]-diphenylsulfanium;[4-(3,5-difluorobenzoyl)oxyphenyl]-diphenylsulfanium;diphenyl-[4-[4-(trifluoromethyl)benzoyl]oxyphenyl]sulfanium;[4-(4-fluorobenzoyl)oxyphenyl]-diphenylsulfanium;[4-[2-[2-hydroxy-4-(trifluoromethyl)phenoxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[2-oxo-2-(2,3,4,5-tetrafluoro-6-hydroxyphenoxy)ethoxy]phenyl]-diphenylsulfanium.
What is the SMILES notation for [4-(2,4-difluorobenzoyl)oxyphenyl]-diphenylsulfanium;[4-(3,5-difluorobenzoyl)oxyphenyl]-diphenylsulfanium;diphenyl-[4-[4-(trifluoromethyl)benzoyl]oxyphenyl]sulfanium;[4-(4-fluorobenzoyl)oxyphenyl]-diphenylsulfanium;[4-[2-[2-hydroxy-4-(trifluoromethyl)phenoxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[2-oxo-2-(2,3,4,5-tetrafluoro-6-hydroxyphenoxy)ethoxy]phenyl]-diphenylsulfanium?
The canonical SMILES for [4-(2,4-difluorobenzoyl)oxyphenyl]-diphenylsulfanium;[4-(3,5-difluorobenzoyl)oxyphenyl]-diphenylsulfanium;diphenyl-[4-[4-(trifluoromethyl)benzoyl]oxyphenyl]sulfanium;[4-(4-fluorobenzoyl)oxyphenyl]-diphenylsulfanium;[4-[2-[2-hydroxy-4-(trifluoromethyl)phenoxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[2-oxo-2-(2,3,4,5-tetrafluoro-6-hydroxyphenoxy)ethoxy]phenyl]-diphenylsulfanium is O=C(COc1ccc([S+](c2ccccc2)c2ccccc2)cc1)Oc1c(O)c(F)c(F)c(F)c1F.O=C(COc1ccc([S+](c2ccccc2)c2ccccc2)cc1)Oc1ccc(C(F)(F)F)cc1O.O=C(Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1)c1cc(F)cc(F)c1.O=C(Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1)c1ccc(C(F)(F)F)cc1.O=C(Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1)c1ccc(F)cc1.O=C(Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1)c1ccc(F)cc1F.
What is the InChIKey of [4-(2,4-difluorobenzoyl)oxyphenyl]-diphenylsulfanium;[4-(3,5-difluorobenzoyl)oxyphenyl]-diphenylsulfanium;diphenyl-[4-[4-(trifluoromethyl)benzoyl]oxyphenyl]sulfanium;[4-(4-fluorobenzoyl)oxyphenyl]-diphenylsulfanium;[4-[2-[2-hydroxy-4-(trifluoromethyl)phenoxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[2-oxo-2-(2,3,4,5-tetrafluoro-6-hydroxyphenoxy)ethoxy]phenyl]-diphenylsulfanium?
The InChIKey is HXIYLLOZWZTUHT-UHFFFAOYSA-P. The full InChI is InChI=1S/C27H19F3O4S.C26H16F4O4S.C26H18F3O2S.2C25H17F2O2S.C25H18FO2S/c28-27(29,30)19-11-16-25(24(31)17-19)34-26(32)18-33-20-12-14-23(15-13-20)35(21-7-3-1-4-8-21)22-9-5-2-6-10-22;27-21-22(28)24(30)26(25(32)23(21)29)34-20(31)15-33-16-11-13-19(14-12-16)35(17-7-3-1-4-8-17)18-9-5-2-6-10-18;27-26(28,29)20-13-11-19(12-14-20)25(30)31-21-15-17-24(18-16-21)32(22-7-3-1-4-8-22)23-9-5-2-6-10-23;26-18-11-16-23(24(27)17-18)25(28)29-19-12-14-22(15-13-19)30(20-7-3-1-4-8-20)21-9-5-2-6-10-21;26-19-15-18(16-20(27)17-19)25(28)29-21-11-13-24(14-12-21)30(22-7-3-1-4-8-22)23-9-5-2-6-10-23;26-20-13-11-19(12-14-20)25(27)28-21-15-17-24(18-16-21)29(22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-17H,18H2;1-14H,15H2;1-18H;2*1-17H;1-18H/q;;4*+1/p+2.
What are the key properties of [4-(2,4-difluorobenzoyl)oxyphenyl]-diphenylsulfanium;[4-(3,5-difluorobenzoyl)oxyphenyl]-diphenylsulfanium;diphenyl-[4-[4-(trifluoromethyl)benzoyl]oxyphenyl]sulfanium;[4-(4-fluorobenzoyl)oxyphenyl]-diphenylsulfanium;[4-[2-[2-hydroxy-4-(trifluoromethyl)phenoxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[2-oxo-2-(2,3,4,5-tetrafluoro-6-hydroxyphenoxy)ethoxy]phenyl]-diphenylsulfanium?
[4-(2,4-difluorobenzoyl)oxyphenyl]-diphenylsulfanium;[4-(3,5-difluorobenzoyl)oxyphenyl]-diphenylsulfanium;diphenyl-[4-[4-(trifluoromethyl)benzoyl]oxyphenyl]sulfanium;[4-(4-fluorobenzoyl)oxyphenyl]-diphenylsulfanium;[4-[2-[2-hydroxy-4-(trifluoromethyl)phenoxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[2-oxo-2-(2,3,4,5-tetrafluoro-6-hydroxyphenoxy)ethoxy]phenyl]-diphenylsulfanium has a molecular weight of 2690.91 g/mol, XLogP of 38.24, 34 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,4-difluorobenzoyl)oxyphenyl]-diphenylsulfanium;[4-(3,5-difluorobenzoyl)oxyphenyl]-diphenylsulfanium;diphenyl-[4-[4-(trifluoromethyl)benzoyl]oxyphenyl]sulfanium;[4-(4-fluorobenzoyl)oxyphenyl]-diphenylsulfanium;[4-[2-[2-hydroxy-4-(trifluoromethyl)phenoxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[2-oxo-2-(2,3,4,5-tetrafluoro-6-hydroxyphenoxy)ethoxy]phenyl]-diphenylsulfanium is sourced from PubChem (CID 164998647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).