bis(4-butan-2-ylphenol);3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;2,3-dihydro-1H-inden-1-yl 2,2-dimethylbutanoate;1-(4-methoxyphenyl)ethyl 2,2-dimethylbutanoate;bis((4-methylphenyl)-diphenylsulfanium);bis(2-(2,3,4,5,6-pentafluorophenoxy)ethyl 2,2-dimethylbutanoate);triphenylsulfanium

C147H162F16O19S5+2 — CID 159325963

IUPACbis(4-butan-2-ylphenol);3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;2,3-dihydro-1H-inden-1-yl 2,2-dimethylbutanoate;1-(4-methoxyphenyl)ethyl 2,2-dimethylbutanoate;bis((4-methylphenyl)-diphenylsulfanium);bis(2-(2,3,4,5,6-pentafluorophenoxy)ethyl 2,2-dimethylbutanoate);triphenylsulfanium
SMILESCCC(C)(C)C(=O)OC(C)c1ccc(OC)cc1.CCC(C)(C)C(=O)OC1CCc2ccccc21.CCC(C)(C)C(=O)OCCOc1c(F)c(F)c(F)c(F)c1F.CCC(C)(C)C(=O)OCCOc1c(F)c(F)c(F)c(F)c1F.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[O-])cc1.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C19H17S.C18H15S.C15H22O3.C15H20O2.2C14H15F5O3.C13H14F6O6S2.2C10H14O/c2*1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-6-15(3,4)14(16)18-11(2)12-7-9-13(17-5)10-8-12;1-4-15(2,3)14(16)17-13-10-9-11-7-5-6-8-12(11)13;2*1-4-14(2,3)13(20)22-6-5-21-12-10(18)8(16)7(15)9(17)11(12)19;1-3-8(2)9-4-6-10(7-5-9)25-27(23,24)13(18,19)11(14,15)12(16,17)26(20,21)22;2*1-3-8(2)9-4-6-10(11)7-5-9/h2*2-15H,1H3;1-15H;7-11H,6H2,1-5H3;5-8,13H,4,9-10H2,1-3H3;2*4-6H2,1-3H3;4-8H,3H2,1-2H3,(H,20,21,22);2*4-8,11H,3H2,1-2H3/q3*+1;;;;;;;/p-1
InChIKeyLEJFEAXTCDQXNJ-UHFFFAOYSA-M
MW2697.20 g/mol
LogP38.92
Rot. Bonds41

About bis(4-butan-2-ylphenol);3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;2,3-dihydro-1H-inden-1-yl 2,2-dimethylbutanoate;1-(4-methoxyphenyl)ethyl 2,2-dimethylbutanoate;bis((4-methylphenyl)-diphenylsulfanium);bis(2-(2,3,4,5,6-pentafluorophenoxy)ethyl 2,2-dimethylbutanoate);triphenylsulfanium

bis(4-butan-2-ylphenol);3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;2,3-dihydro-1H-inden-1-yl 2,2-dimethylbutanoate;1-(4-methoxyphenyl)ethyl 2,2-dimethylbutanoate;bis((4-methylphenyl)-diphenylsulfanium);bis(2-(2,3,4,5,6-pentafluorophenoxy)ethyl 2,2-dimethylbutanoate);triphenylsulfanium (PubChem CID 159325963) has the molecular formula C147H162F16O19S5+2 and a molecular weight of 2697.20 g/mol. Its IUPAC name is bis(4-butan-2-ylphenol);3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;2,3-dihydro-1H-inden-1-yl 2,2-dimethylbutanoate;1-(4-methoxyphenyl)ethyl 2,2-dimethylbutanoate;bis((4-methylphenyl)-diphenylsulfanium);bis(2-(2,3,4,5,6-pentafluorophenoxy)ethyl 2,2-dimethylbutanoate);triphenylsulfanium.

Molecular Properties

Compound Namebis(4-butan-2-ylphenol);3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;2,3-dihydro-1H-inden-1-yl 2,2-dimethylbutanoate;1-(4-methoxyphenyl)ethyl 2,2-dimethylbutanoate;bis((4-methylphenyl)-diphenylsulfanium);bis(2-(2,3,4,5,6-pentafluorophenoxy)ethyl 2,2-dimethylbutanoate);triphenylsulfanium
PubChem CID159325963
Molecular FormulaC147H162F16O19S5+2
Molecular Weight2697.20 g/mol
Exact Mass2695.00
IUPAC Namebis(4-butan-2-ylphenol);3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;2,3-dihydro-1H-inden-1-yl 2,2-dimethylbutanoate;1-(4-methoxyphenyl)ethyl 2,2-dimethylbutanoate;bis((4-methylphenyl)-diphenylsulfanium);bis(2-(2,3,4,5,6-pentafluorophenoxy)ethyl 2,2-dimethylbutanoate);triphenylsulfanium
SMILESCCC(C)(C)C(=O)OC(C)c1ccc(OC)cc1.CCC(C)(C)C(=O)OC1CCc2ccccc21.CCC(C)(C)C(=O)OCCOc1c(F)c(F)c(F)c(F)c1F.CCC(C)(C)C(=O)OCCOc1c(F)c(F)c(F)c(F)c1F.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[O-])cc1.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C19H17S.C18H15S.C15H22O3.C15H20O2.2C14H15F5O3.C13H14F6O6S2.2C10H14O/c2*1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-6-15(3,4)14(16)18-11(2)12-7-9-13(17-5)10-8-12;1-4-15(2,3)14(16)17-13-10-9-11-7-5-6-8-12(11)13;2*1-4-14(2,3)13(20)22-6-5-21-12-10(18)8(16)7(15)9(17)11(12)19;1-3-8(2)9-4-6-10(7-5-9)25-27(23,24)13(18,19)11(14,15)12(16,17)26(20,21)22;2*1-3-8(2)9-4-6-10(11)7-5-9/h2*2-15H,1H3;1-15H;7-11H,6H2,1-5H3;5-8,13H,4,9-10H2,1-3H3;2*4-6H2,1-3H3;4-8H,3H2,1-2H3,(H,20,21,22);2*4-8,11H,3H2,1-2H3/q3*+1;;;;;;;/p-1
InChIKeyLEJFEAXTCDQXNJ-UHFFFAOYSA-M
XLogP38.92
TPSA273.92 Ų
H-Bond Donors2
H-Bond Acceptors19
Rotatable Bonds41
Heavy Atoms187
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002697.20
LogP ≤ 538.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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'}

Analyze bis(4-butan-2-ylphenol);3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;2,3-dihydro-1H-inden-1-yl 2,2-dimethylbutanoate;1-(4-methoxyphenyl)ethyl 2,2-dimethylbutanoate;bis((4-methylphenyl)-diphenylsulfanium);bis(2-(2,3,4,5,6-pentafluorophenoxy)ethyl 2,2-dimethylbutanoate);triphenylsulfanium 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 bis(4-butan-2-ylphenol);3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;2,3-dihydro-1H-inden-1-yl 2,2-dimethylbutanoate;1-(4-methoxyphenyl)ethyl 2,2-dimethylbutanoate;bis((4-methylphenyl)-diphenylsulfanium);bis(2-(2,3,4,5,6-pentafluorophenoxy)ethyl 2,2-dimethylbutanoate);triphenylsulfanium?
The IUPAC name of bis(4-butan-2-ylphenol);3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;2,3-dihydro-1H-inden-1-yl 2,2-dimethylbutanoate;1-(4-methoxyphenyl)ethyl 2,2-dimethylbutanoate;bis((4-methylphenyl)-diphenylsulfanium);bis(2-(2,3,4,5,6-pentafluorophenoxy)ethyl 2,2-dimethylbutanoate);triphenylsulfanium (CID 159325963) is bis(4-butan-2-ylphenol);3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;2,3-dihydro-1H-inden-1-yl 2,2-dimethylbutanoate;1-(4-methoxyphenyl)ethyl 2,2-dimethylbutanoate;bis((4-methylphenyl)-diphenylsulfanium);bis(2-(2,3,4,5,6-pentafluorophenoxy)ethyl 2,2-dimethylbutanoate);triphenylsulfanium.
What is the SMILES notation for bis(4-butan-2-ylphenol);3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;2,3-dihydro-1H-inden-1-yl 2,2-dimethylbutanoate;1-(4-methoxyphenyl)ethyl 2,2-dimethylbutanoate;bis((4-methylphenyl)-diphenylsulfanium);bis(2-(2,3,4,5,6-pentafluorophenoxy)ethyl 2,2-dimethylbutanoate);triphenylsulfanium?
The canonical SMILES for bis(4-butan-2-ylphenol);3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;2,3-dihydro-1H-inden-1-yl 2,2-dimethylbutanoate;1-(4-methoxyphenyl)ethyl 2,2-dimethylbutanoate;bis((4-methylphenyl)-diphenylsulfanium);bis(2-(2,3,4,5,6-pentafluorophenoxy)ethyl 2,2-dimethylbutanoate);triphenylsulfanium is CCC(C)(C)C(=O)OC(C)c1ccc(OC)cc1.CCC(C)(C)C(=O)OC1CCc2ccccc21.CCC(C)(C)C(=O)OCCOc1c(F)c(F)c(F)c(F)c1F.CCC(C)(C)C(=O)OCCOc1c(F)c(F)c(F)c(F)c1F.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[O-])cc1.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of bis(4-butan-2-ylphenol);3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;2,3-dihydro-1H-inden-1-yl 2,2-dimethylbutanoate;1-(4-methoxyphenyl)ethyl 2,2-dimethylbutanoate;bis((4-methylphenyl)-diphenylsulfanium);bis(2-(2,3,4,5,6-pentafluorophenoxy)ethyl 2,2-dimethylbutanoate);triphenylsulfanium?
The InChIKey is LEJFEAXTCDQXNJ-UHFFFAOYSA-M. The full InChI is InChI=1S/2C19H17S.C18H15S.C15H22O3.C15H20O2.2C14H15F5O3.C13H14F6O6S2.2C10H14O/c2*1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-6-15(3,4)14(16)18-11(2)12-7-9-13(17-5)10-8-12;1-4-15(2,3)14(16)17-13-10-9-11-7-5-6-8-12(11)13;2*1-4-14(2,3)13(20)22-6-5-21-12-10(18)8(16)7(15)9(17)11(12)19;1-3-8(2)9-4-6-10(7-5-9)25-27(23,24)13(18,19)11(14,15)12(16,17)26(20,21)22;2*1-3-8(2)9-4-6-10(11)7-5-9/h2*2-15H,1H3;1-15H;7-11H,6H2,1-5H3;5-8,13H,4,9-10H2,1-3H3;2*4-6H2,1-3H3;4-8H,3H2,1-2H3,(H,20,21,22);2*4-8,11H,3H2,1-2H3/q3*+1;;;;;;;/p-1.
What are the key properties of bis(4-butan-2-ylphenol);3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;2,3-dihydro-1H-inden-1-yl 2,2-dimethylbutanoate;1-(4-methoxyphenyl)ethyl 2,2-dimethylbutanoate;bis((4-methylphenyl)-diphenylsulfanium);bis(2-(2,3,4,5,6-pentafluorophenoxy)ethyl 2,2-dimethylbutanoate);triphenylsulfanium?
bis(4-butan-2-ylphenol);3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;2,3-dihydro-1H-inden-1-yl 2,2-dimethylbutanoate;1-(4-methoxyphenyl)ethyl 2,2-dimethylbutanoate;bis((4-methylphenyl)-diphenylsulfanium);bis(2-(2,3,4,5,6-pentafluorophenoxy)ethyl 2,2-dimethylbutanoate);triphenylsulfanium has a molecular weight of 2697.20 g/mol, XLogP of 38.92, 41 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-butan-2-ylphenol);3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;2,3-dihydro-1H-inden-1-yl 2,2-dimethylbutanoate;1-(4-methoxyphenyl)ethyl 2,2-dimethylbutanoate;bis((4-methylphenyl)-diphenylsulfanium);bis(2-(2,3,4,5,6-pentafluorophenoxy)ethyl 2,2-dimethylbutanoate);triphenylsulfanium is sourced from PubChem (CID 159325963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).