diphenyl-[4-(4-propan-2-ylbenzoyl)oxyphenyl]sulfanium;[4-[2-(4-fluorophenoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-(4-methylbenzoyl)oxyphenyl]-diphenylsulfanium;[4-[2-oxo-2-(2,3,4,5,6-pentafluorophenoxy)ethoxy]phenyl]-diphenylsulfanium;[4-(2-oxo-2-phenoxyethoxy)phenyl]-diphenylsulfanium;[4-[2-oxo-2-[4-(trifluoromethyl)phenoxy]ethoxy]phenyl]-diphenylsulfanium

C159H123F9O16S6+6 — CID 158386718

IUPACdiphenyl-[4-(4-propan-2-ylbenzoyl)oxyphenyl]sulfanium;[4-[2-(4-fluorophenoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-(4-methylbenzoyl)oxyphenyl]-diphenylsulfanium;[4-[2-oxo-2-(2,3,4,5,6-pentafluorophenoxy)ethoxy]phenyl]-diphenylsulfanium;[4-(2-oxo-2-phenoxyethoxy)phenyl]-diphenylsulfanium;[4-[2-oxo-2-[4-(trifluoromethyl)phenoxy]ethoxy]phenyl]-diphenylsulfanium
SMILESCC(C)c1ccc(C(=O)Oc2ccc([S+](c3ccccc3)c3ccccc3)cc2)cc1.Cc1ccc(C(=O)Oc2ccc([S+](c3ccccc3)c3ccccc3)cc2)cc1.O=C(COc1ccc([S+](c2ccccc2)c2ccccc2)cc1)Oc1c(F)c(F)c(F)c(F)c1F.O=C(COc1ccc([S+](c2ccccc2)c2ccccc2)cc1)Oc1ccc(C(F)(F)F)cc1.O=C(COc1ccc([S+](c2ccccc2)c2ccccc2)cc1)Oc1ccc(F)cc1.O=C(COc1ccc([S+](c2ccccc2)c2ccccc2)cc1)Oc1ccccc1
InChIInChI=1S/C28H25O2S.C27H20F3O3S.C26H16F5O3S.C26H20FO3S.C26H21O3S.C26H21O2S/c1-21(2)22-13-15-23(16-14-22)28(29)30-24-17-19-27(20-18-24)31(25-9-5-3-6-10-25)26-11-7-4-8-12-26;28-27(29,30)20-11-13-22(14-12-20)33-26(31)19-32-21-15-17-25(18-16-21)34(23-7-3-1-4-8-23)24-9-5-2-6-10-24;27-21-22(28)24(30)26(25(31)23(21)29)34-20(32)15-33-16-11-13-19(14-12-16)35(17-7-3-1-4-8-17)18-9-5-2-6-10-18;27-20-11-13-22(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;27-26(29-22-10-4-1-5-11-22)20-28-21-16-18-25(19-17-21)30(23-12-6-2-7-13-23)24-14-8-3-9-15-24;1-20-12-14-21(15-13-20)26(27)28-22-16-18-25(19-17-22)29(23-8-4-2-5-9-23)24-10-6-3-7-11-24/h3-21H,1-2H3;1-18H,19H2;1-14H,15H2;1-18H,19H2;1-19H,20H2;2-19H,1H3/q6*+1
InChIKeyGWLMEWQABCWQKB-UHFFFAOYSA-N
MW2653.10 g/mol
LogP38.35
Rot. Bonds39

About diphenyl-[4-(4-propan-2-ylbenzoyl)oxyphenyl]sulfanium;[4-[2-(4-fluorophenoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-(4-methylbenzoyl)oxyphenyl]-diphenylsulfanium;[4-[2-oxo-2-(2,3,4,5,6-pentafluorophenoxy)ethoxy]phenyl]-diphenylsulfanium;[4-(2-oxo-2-phenoxyethoxy)phenyl]-diphenylsulfanium;[4-[2-oxo-2-[4-(trifluoromethyl)phenoxy]ethoxy]phenyl]-diphenylsulfanium

diphenyl-[4-(4-propan-2-ylbenzoyl)oxyphenyl]sulfanium;[4-[2-(4-fluorophenoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-(4-methylbenzoyl)oxyphenyl]-diphenylsulfanium;[4-[2-oxo-2-(2,3,4,5,6-pentafluorophenoxy)ethoxy]phenyl]-diphenylsulfanium;[4-(2-oxo-2-phenoxyethoxy)phenyl]-diphenylsulfanium;[4-[2-oxo-2-[4-(trifluoromethyl)phenoxy]ethoxy]phenyl]-diphenylsulfanium (PubChem CID 158386718) has the molecular formula C159H123F9O16S6+6 and a molecular weight of 2653.10 g/mol. Its IUPAC name is diphenyl-[4-(4-propan-2-ylbenzoyl)oxyphenyl]sulfanium;[4-[2-(4-fluorophenoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-(4-methylbenzoyl)oxyphenyl]-diphenylsulfanium;[4-[2-oxo-2-(2,3,4,5,6-pentafluorophenoxy)ethoxy]phenyl]-diphenylsulfanium;[4-(2-oxo-2-phenoxyethoxy)phenyl]-diphenylsulfanium;[4-[2-oxo-2-[4-(trifluoromethyl)phenoxy]ethoxy]phenyl]-diphenylsulfanium.

Molecular Properties

Compound Namediphenyl-[4-(4-propan-2-ylbenzoyl)oxyphenyl]sulfanium;[4-[2-(4-fluorophenoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-(4-methylbenzoyl)oxyphenyl]-diphenylsulfanium;[4-[2-oxo-2-(2,3,4,5,6-pentafluorophenoxy)ethoxy]phenyl]-diphenylsulfanium;[4-(2-oxo-2-phenoxyethoxy)phenyl]-diphenylsulfanium;[4-[2-oxo-2-[4-(trifluoromethyl)phenoxy]ethoxy]phenyl]-diphenylsulfanium
PubChem CID158386718
Molecular FormulaC159H123F9O16S6+6
Molecular Weight2653.10 g/mol
Exact Mass2650.70
IUPAC Namediphenyl-[4-(4-propan-2-ylbenzoyl)oxyphenyl]sulfanium;[4-[2-(4-fluorophenoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-(4-methylbenzoyl)oxyphenyl]-diphenylsulfanium;[4-[2-oxo-2-(2,3,4,5,6-pentafluorophenoxy)ethoxy]phenyl]-diphenylsulfanium;[4-(2-oxo-2-phenoxyethoxy)phenyl]-diphenylsulfanium;[4-[2-oxo-2-[4-(trifluoromethyl)phenoxy]ethoxy]phenyl]-diphenylsulfanium
SMILESCC(C)c1ccc(C(=O)Oc2ccc([S+](c3ccccc3)c3ccccc3)cc2)cc1.Cc1ccc(C(=O)Oc2ccc([S+](c3ccccc3)c3ccccc3)cc2)cc1.O=C(COc1ccc([S+](c2ccccc2)c2ccccc2)cc1)Oc1c(F)c(F)c(F)c(F)c1F.O=C(COc1ccc([S+](c2ccccc2)c2ccccc2)cc1)Oc1ccc(C(F)(F)F)cc1.O=C(COc1ccc([S+](c2ccccc2)c2ccccc2)cc1)Oc1ccc(F)cc1.O=C(COc1ccc([S+](c2ccccc2)c2ccccc2)cc1)Oc1ccccc1
InChIInChI=1S/C28H25O2S.C27H20F3O3S.C26H16F5O3S.C26H20FO3S.C26H21O3S.C26H21O2S/c1-21(2)22-13-15-23(16-14-22)28(29)30-24-17-19-27(20-18-24)31(25-9-5-3-6-10-25)26-11-7-4-8-12-26;28-27(29,30)20-11-13-22(14-12-20)33-26(31)19-32-21-15-17-25(18-16-21)34(23-7-3-1-4-8-23)24-9-5-2-6-10-24;27-21-22(28)24(30)26(25(31)23(21)29)34-20(32)15-33-16-11-13-19(14-12-16)35(17-7-3-1-4-8-17)18-9-5-2-6-10-18;27-20-11-13-22(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;27-26(29-22-10-4-1-5-11-22)20-28-21-16-18-25(19-17-21)30(23-12-6-2-7-13-23)24-14-8-3-9-15-24;1-20-12-14-21(15-13-20)26(27)28-22-16-18-25(19-17-22)29(23-8-4-2-5-9-23)24-10-6-3-7-11-24/h3-21H,1-2H3;1-18H,19H2;1-14H,15H2;1-18H,19H2;1-19H,20H2;2-19H,1H3/q6*+1
InChIKeyGWLMEWQABCWQKB-UHFFFAOYSA-N
XLogP38.35
TPSA194.72 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds39
Heavy Atoms190
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002653.10
LogP ≤ 538.35
H-Bond Donors ≤ 50
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 diphenyl-[4-(4-propan-2-ylbenzoyl)oxyphenyl]sulfanium;[4-[2-(4-fluorophenoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-(4-methylbenzoyl)oxyphenyl]-diphenylsulfanium;[4-[2-oxo-2-(2,3,4,5,6-pentafluorophenoxy)ethoxy]phenyl]-diphenylsulfanium;[4-(2-oxo-2-phenoxyethoxy)phenyl]-diphenylsulfanium;[4-[2-oxo-2-[4-(trifluoromethyl)phenoxy]ethoxy]phenyl]-diphenylsulfanium with MolForge

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Related Compounds

4-[(4-{[4-(Tert-butyl)benzoyl]oxy}phenyl)sulfanyl]phenyl 4-(tert-butyl)benzenecarboxylate
CID 4293205
Ethyl 2-[4-[[2-[(2,4-difluorophenyl)sulfanylmethyl]-5-[4-(trifluoromethyl)phenyl]furan-3-yl]methylsulfanyl]-2-methylphenoxy]acetate
CID 21986419
[4-[4-[2-Fluoro-4-(8-prop-2-enoyloxyoctoxy)benzoyl]oxyphenyl]sulfonylphenyl] 2-fluoro-4-methylbenzoate
CID 57528075
[2,2-Difluoro-2-[[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-diphenylmethyl]sulfonylethyl] benzoate
CID 68234015
4-O-[2,4-di(butan-2-yl)-6-[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecylsulfanyl(phenyl)methyl]phenyl] 1-O-[2,4-dibutyl-6-[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecylsulfanyl(phenyl)methyl]phenyl] benzene-1,4-dicarboxylate
CID 88864522
4-O-[2,4-di(butan-2-yl)-6-[phenyl(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctylsulfanyl)methyl]phenyl] 1-O-[2,4-dibutyl-6-[phenyl(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctylsulfanyl)methyl]phenyl] benzene-1,4-dicarboxylate
CID 89024586
(4-Fluorophenyl)methyl 4-[2,2,2-trifluoro-1-(4-hydroxyphenyl)-1-[4-[4-(4-hydroxyphenyl)sulfonylphenoxy]phenyl]ethyl]benzoate
CID 89946351
[Tris(4-cyclohexyloxyphenyl)-lambda4-sulfanyl] 4-(trifluoromethyl)benzoate
CID 140004090
[3,5-Difluoro-4-(trifluoromethyl)phenyl] 4-pentan-3-ylbenzoate;1-fluoro-2-methylbenzene;methyl 4-pentan-3-ylbenzoate;[4-(trifluoromethyl)phenyl] 4-pentan-3-ylbenzoate
CID 141867746
4-O-cyclohexyl 1-O-[4-[4-[4-(2-fluoroprop-2-enoyloxy)phenyl]sulfanylcarbonylphenyl]phenyl] 2-methylidenebutanedioate
CID 155241459
1-O-[4-[4-[4-[2-(2-fluoroprop-2-enoyloxy)ethoxy]phenyl]sulfanylcarbonylphenyl]phenyl] 4-O-methyl 2-methylidenebutanedioate
CID 155241470
3-[4-[4-(4-Prop-2-enoyloxyphenyl)benzoyl]sulfanylphenoxy]propyl 2-fluoroprop-2-enoate
CID 155241471

Frequently Asked Questions

What is the IUPAC name of diphenyl-[4-(4-propan-2-ylbenzoyl)oxyphenyl]sulfanium;[4-[2-(4-fluorophenoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-(4-methylbenzoyl)oxyphenyl]-diphenylsulfanium;[4-[2-oxo-2-(2,3,4,5,6-pentafluorophenoxy)ethoxy]phenyl]-diphenylsulfanium;[4-(2-oxo-2-phenoxyethoxy)phenyl]-diphenylsulfanium;[4-[2-oxo-2-[4-(trifluoromethyl)phenoxy]ethoxy]phenyl]-diphenylsulfanium?
The IUPAC name of diphenyl-[4-(4-propan-2-ylbenzoyl)oxyphenyl]sulfanium;[4-[2-(4-fluorophenoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-(4-methylbenzoyl)oxyphenyl]-diphenylsulfanium;[4-[2-oxo-2-(2,3,4,5,6-pentafluorophenoxy)ethoxy]phenyl]-diphenylsulfanium;[4-(2-oxo-2-phenoxyethoxy)phenyl]-diphenylsulfanium;[4-[2-oxo-2-[4-(trifluoromethyl)phenoxy]ethoxy]phenyl]-diphenylsulfanium (CID 158386718) is diphenyl-[4-(4-propan-2-ylbenzoyl)oxyphenyl]sulfanium;[4-[2-(4-fluorophenoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-(4-methylbenzoyl)oxyphenyl]-diphenylsulfanium;[4-[2-oxo-2-(2,3,4,5,6-pentafluorophenoxy)ethoxy]phenyl]-diphenylsulfanium;[4-(2-oxo-2-phenoxyethoxy)phenyl]-diphenylsulfanium;[4-[2-oxo-2-[4-(trifluoromethyl)phenoxy]ethoxy]phenyl]-diphenylsulfanium.
What is the SMILES notation for diphenyl-[4-(4-propan-2-ylbenzoyl)oxyphenyl]sulfanium;[4-[2-(4-fluorophenoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-(4-methylbenzoyl)oxyphenyl]-diphenylsulfanium;[4-[2-oxo-2-(2,3,4,5,6-pentafluorophenoxy)ethoxy]phenyl]-diphenylsulfanium;[4-(2-oxo-2-phenoxyethoxy)phenyl]-diphenylsulfanium;[4-[2-oxo-2-[4-(trifluoromethyl)phenoxy]ethoxy]phenyl]-diphenylsulfanium?
The canonical SMILES for diphenyl-[4-(4-propan-2-ylbenzoyl)oxyphenyl]sulfanium;[4-[2-(4-fluorophenoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-(4-methylbenzoyl)oxyphenyl]-diphenylsulfanium;[4-[2-oxo-2-(2,3,4,5,6-pentafluorophenoxy)ethoxy]phenyl]-diphenylsulfanium;[4-(2-oxo-2-phenoxyethoxy)phenyl]-diphenylsulfanium;[4-[2-oxo-2-[4-(trifluoromethyl)phenoxy]ethoxy]phenyl]-diphenylsulfanium is CC(C)c1ccc(C(=O)Oc2ccc([S+](c3ccccc3)c3ccccc3)cc2)cc1.Cc1ccc(C(=O)Oc2ccc([S+](c3ccccc3)c3ccccc3)cc2)cc1.O=C(COc1ccc([S+](c2ccccc2)c2ccccc2)cc1)Oc1c(F)c(F)c(F)c(F)c1F.O=C(COc1ccc([S+](c2ccccc2)c2ccccc2)cc1)Oc1ccc(C(F)(F)F)cc1.O=C(COc1ccc([S+](c2ccccc2)c2ccccc2)cc1)Oc1ccc(F)cc1.O=C(COc1ccc([S+](c2ccccc2)c2ccccc2)cc1)Oc1ccccc1.
What is the InChIKey of diphenyl-[4-(4-propan-2-ylbenzoyl)oxyphenyl]sulfanium;[4-[2-(4-fluorophenoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-(4-methylbenzoyl)oxyphenyl]-diphenylsulfanium;[4-[2-oxo-2-(2,3,4,5,6-pentafluorophenoxy)ethoxy]phenyl]-diphenylsulfanium;[4-(2-oxo-2-phenoxyethoxy)phenyl]-diphenylsulfanium;[4-[2-oxo-2-[4-(trifluoromethyl)phenoxy]ethoxy]phenyl]-diphenylsulfanium?
The InChIKey is GWLMEWQABCWQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25O2S.C27H20F3O3S.C26H16F5O3S.C26H20FO3S.C26H21O3S.C26H21O2S/c1-21(2)22-13-15-23(16-14-22)28(29)30-24-17-19-27(20-18-24)31(25-9-5-3-6-10-25)26-11-7-4-8-12-26;28-27(29,30)20-11-13-22(14-12-20)33-26(31)19-32-21-15-17-25(18-16-21)34(23-7-3-1-4-8-23)24-9-5-2-6-10-24;27-21-22(28)24(30)26(25(31)23(21)29)34-20(32)15-33-16-11-13-19(14-12-16)35(17-7-3-1-4-8-17)18-9-5-2-6-10-18;27-20-11-13-22(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;27-26(29-22-10-4-1-5-11-22)20-28-21-16-18-25(19-17-21)30(23-12-6-2-7-13-23)24-14-8-3-9-15-24;1-20-12-14-21(15-13-20)26(27)28-22-16-18-25(19-17-22)29(23-8-4-2-5-9-23)24-10-6-3-7-11-24/h3-21H,1-2H3;1-18H,19H2;1-14H,15H2;1-18H,19H2;1-19H,20H2;2-19H,1H3/q6*+1.
What are the key properties of diphenyl-[4-(4-propan-2-ylbenzoyl)oxyphenyl]sulfanium;[4-[2-(4-fluorophenoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-(4-methylbenzoyl)oxyphenyl]-diphenylsulfanium;[4-[2-oxo-2-(2,3,4,5,6-pentafluorophenoxy)ethoxy]phenyl]-diphenylsulfanium;[4-(2-oxo-2-phenoxyethoxy)phenyl]-diphenylsulfanium;[4-[2-oxo-2-[4-(trifluoromethyl)phenoxy]ethoxy]phenyl]-diphenylsulfanium?
diphenyl-[4-(4-propan-2-ylbenzoyl)oxyphenyl]sulfanium;[4-[2-(4-fluorophenoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-(4-methylbenzoyl)oxyphenyl]-diphenylsulfanium;[4-[2-oxo-2-(2,3,4,5,6-pentafluorophenoxy)ethoxy]phenyl]-diphenylsulfanium;[4-(2-oxo-2-phenoxyethoxy)phenyl]-diphenylsulfanium;[4-[2-oxo-2-[4-(trifluoromethyl)phenoxy]ethoxy]phenyl]-diphenylsulfanium has a molecular weight of 2653.10 g/mol, XLogP of 38.35, 39 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-[4-(4-propan-2-ylbenzoyl)oxyphenyl]sulfanium;[4-[2-(4-fluorophenoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-(4-methylbenzoyl)oxyphenyl]-diphenylsulfanium;[4-[2-oxo-2-(2,3,4,5,6-pentafluorophenoxy)ethoxy]phenyl]-diphenylsulfanium;[4-(2-oxo-2-phenoxyethoxy)phenyl]-diphenylsulfanium;[4-[2-oxo-2-[4-(trifluoromethyl)phenoxy]ethoxy]phenyl]-diphenylsulfanium is sourced from PubChem (CID 158386718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).