diphenyl-[4-(4-propan-2-ylbenzoyl)oxyphenyl]sulfanium;[4-[2-(4-fluorophenoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[2-[(2-methyl-2-adamantyl)oxy]-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

C190H156F9O19S7+7 — CID 159275070

IUPACdiphenyl-[4-(4-propan-2-ylbenzoyl)oxyphenyl]sulfanium;[4-[2-(4-fluorophenoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[2-[(2-methyl-2-adamantyl)oxy]-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.CC1(OC(=O)COc2ccc([S+](c3ccccc3)c3ccccc3)cc2)C2CC3CC(C2)CC1C3.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/C31H33O3S.C28H25O2S.C27H20F3O3S.C26H16F5O3S.C26H20FO3S.C26H21O3S.C26H21O2S/c1-31(24-17-22-16-23(19-24)20-25(31)18-22)34-30(32)21-33-26-12-14-29(15-13-26)35(27-8-4-2-5-9-27)28-10-6-3-7-11-28;1-21(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/h2-15,22-25H,16-21H2,1H3;3-21H,1-2H3;1-18H,19H2;1-14H,15H2;1-18H,19H2;1-19H,20H2;2-19H,1H3/q7*+1
InChIKeyKYEZPHRBDDFUKO-UHFFFAOYSA-N
MW3138.77 g/mol
LogP45.27
Rot. Bonds46

About diphenyl-[4-(4-propan-2-ylbenzoyl)oxyphenyl]sulfanium;[4-[2-(4-fluorophenoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[2-[(2-methyl-2-adamantyl)oxy]-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-[2-[(2-methyl-2-adamantyl)oxy]-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 159275070) has the molecular formula C190H156F9O19S7+7 and a molecular weight of 3138.77 g/mol. Its IUPAC name is diphenyl-[4-(4-propan-2-ylbenzoyl)oxyphenyl]sulfanium;[4-[2-(4-fluorophenoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[2-[(2-methyl-2-adamantyl)oxy]-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-[2-[(2-methyl-2-adamantyl)oxy]-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 CID159275070
Molecular FormulaC190H156F9O19S7+7
Molecular Weight3138.77 g/mol
Exact Mass3135.91
IUPAC Namediphenyl-[4-(4-propan-2-ylbenzoyl)oxyphenyl]sulfanium;[4-[2-(4-fluorophenoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[2-[(2-methyl-2-adamantyl)oxy]-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.CC1(OC(=O)COc2ccc([S+](c3ccccc3)c3ccccc3)cc2)C2CC3CC(C2)CC1C3.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/C31H33O3S.C28H25O2S.C27H20F3O3S.C26H16F5O3S.C26H20FO3S.C26H21O3S.C26H21O2S/c1-31(24-17-22-16-23(19-24)20-25(31)18-22)34-30(32)21-33-26-12-14-29(15-13-26)35(27-8-4-2-5-9-27)28-10-6-3-7-11-28;1-21(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/h2-15,22-25H,16-21H2,1H3;3-21H,1-2H3;1-18H,19H2;1-14H,15H2;1-18H,19H2;1-19H,20H2;2-19H,1H3/q7*+1
InChIKeyKYEZPHRBDDFUKO-UHFFFAOYSA-N
XLogP45.27
TPSA230.25 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds46
Heavy Atoms225
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003138.77
LogP ≤ 545.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

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-[2-[(2-methyl-2-adamantyl)oxy]-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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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-[2-[(2-methyl-2-adamantyl)oxy]-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-[2-[(2-methyl-2-adamantyl)oxy]-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 159275070) is diphenyl-[4-(4-propan-2-ylbenzoyl)oxyphenyl]sulfanium;[4-[2-(4-fluorophenoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[2-[(2-methyl-2-adamantyl)oxy]-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-[2-[(2-methyl-2-adamantyl)oxy]-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-[2-[(2-methyl-2-adamantyl)oxy]-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.CC1(OC(=O)COc2ccc([S+](c3ccccc3)c3ccccc3)cc2)C2CC3CC(C2)CC1C3.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-[2-[(2-methyl-2-adamantyl)oxy]-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 KYEZPHRBDDFUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33O3S.C28H25O2S.C27H20F3O3S.C26H16F5O3S.C26H20FO3S.C26H21O3S.C26H21O2S/c1-31(24-17-22-16-23(19-24)20-25(31)18-22)34-30(32)21-33-26-12-14-29(15-13-26)35(27-8-4-2-5-9-27)28-10-6-3-7-11-28;1-21(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/h2-15,22-25H,16-21H2,1H3;3-21H,1-2H3;1-18H,19H2;1-14H,15H2;1-18H,19H2;1-19H,20H2;2-19H,1H3/q7*+1.
What are the key properties of diphenyl-[4-(4-propan-2-ylbenzoyl)oxyphenyl]sulfanium;[4-[2-(4-fluorophenoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[2-[(2-methyl-2-adamantyl)oxy]-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-[2-[(2-methyl-2-adamantyl)oxy]-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 3138.77 g/mol, XLogP of 45.27, 46 rotatable bonds, 0 hydrogen bond donors, and 19 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-[2-[(2-methyl-2-adamantyl)oxy]-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 159275070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).