diphenyl-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium;diphenyl-[4-[3,3,3-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propoxy]phenyl]sulfanium;phenyl-[4-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)phenyl]-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium;[4-(4,4,4-trifluoro-3-hydroxy-3-methylbutyl)phenyl]-[4-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)phenyl]-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium

C103H89F33O14S4+4 — CID 159531734

IUPACdiphenyl-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium;diphenyl-[4-[3,3,3-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propoxy]phenyl]sulfanium;phenyl-[4-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)phenyl]-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium;[4-(4,4,4-trifluoro-3-hydroxy-3-methylbutyl)phenyl]-[4-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)phenyl]-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium
SMILESCC(O)(CCc1ccc([S+](c2ccc(OCC(C)(O)C(F)(F)F)cc2)c2ccc(OCC(O)(C(F)(F)F)C(F)(F)F)cc2)cc1)C(F)(F)F.CC(O)(COc1ccc([S+](c2ccccc2)c2ccc(OCC(O)(C(F)(F)F)C(F)(F)F)cc2)cc1)C(F)(F)F.COCOC(COc1ccc([S+](c2ccccc2)c2ccccc2)cc1)(C(F)(F)F)C(F)(F)F.OC(COc1ccc([S+](c2ccccc2)c2ccccc2)cc1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C31H29F12O5S.C26H22F9O4S.C24H21F6O3S.C22H17F6O2S/c1-25(44,28(32,33)34)16-15-19-3-9-22(10-4-19)49(23-11-5-20(6-12-23)47-17-26(2,45)29(35,36)37)24-13-7-21(8-14-24)48-18-27(46,30(38,39)40)31(41,42)43;1-22(36,24(27,28)29)15-38-17-7-11-20(12-8-17)40(19-5-3-2-4-6-19)21-13-9-18(10-14-21)39-16-23(37,25(30,31)32)26(33,34)35;1-31-17-33-22(23(25,26)27,24(28,29)30)16-32-18-12-14-21(15-13-18)34(19-8-4-2-5-9-19)20-10-6-3-7-11-20;23-21(24,25)20(29,22(26,27)28)15-30-16-11-13-19(14-12-16)31(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h3-14,44-46H,15-18H2,1-2H3;2-14,36-37H,15-16H2,1H3;2-15H,16-17H2,1H3;1-14,29H,15H2/q4*+1
InChIKeyMDBTVXLIZIDPMQ-UHFFFAOYSA-N
MW2306.03 g/mol
LogP27.32
Rot. Bonds36

About diphenyl-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium;diphenyl-[4-[3,3,3-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propoxy]phenyl]sulfanium;phenyl-[4-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)phenyl]-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium;[4-(4,4,4-trifluoro-3-hydroxy-3-methylbutyl)phenyl]-[4-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)phenyl]-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium

diphenyl-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium;diphenyl-[4-[3,3,3-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propoxy]phenyl]sulfanium;phenyl-[4-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)phenyl]-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium;[4-(4,4,4-trifluoro-3-hydroxy-3-methylbutyl)phenyl]-[4-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)phenyl]-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium (PubChem CID 159531734) has the molecular formula C103H89F33O14S4+4 and a molecular weight of 2306.03 g/mol. Its IUPAC name is diphenyl-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium;diphenyl-[4-[3,3,3-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propoxy]phenyl]sulfanium;phenyl-[4-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)phenyl]-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium;[4-(4,4,4-trifluoro-3-hydroxy-3-methylbutyl)phenyl]-[4-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)phenyl]-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium.

Molecular Properties

Compound Namediphenyl-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium;diphenyl-[4-[3,3,3-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propoxy]phenyl]sulfanium;phenyl-[4-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)phenyl]-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium;[4-(4,4,4-trifluoro-3-hydroxy-3-methylbutyl)phenyl]-[4-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)phenyl]-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium
PubChem CID159531734
Molecular FormulaC103H89F33O14S4+4
Molecular Weight2306.03 g/mol
Exact Mass2304.46
IUPAC Namediphenyl-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium;diphenyl-[4-[3,3,3-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propoxy]phenyl]sulfanium;phenyl-[4-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)phenyl]-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium;[4-(4,4,4-trifluoro-3-hydroxy-3-methylbutyl)phenyl]-[4-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)phenyl]-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium
SMILESCC(O)(CCc1ccc([S+](c2ccc(OCC(C)(O)C(F)(F)F)cc2)c2ccc(OCC(O)(C(F)(F)F)C(F)(F)F)cc2)cc1)C(F)(F)F.CC(O)(COc1ccc([S+](c2ccccc2)c2ccc(OCC(O)(C(F)(F)F)C(F)(F)F)cc2)cc1)C(F)(F)F.COCOC(COc1ccc([S+](c2ccccc2)c2ccccc2)cc1)(C(F)(F)F)C(F)(F)F.OC(COc1ccc([S+](c2ccccc2)c2ccccc2)cc1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C31H29F12O5S.C26H22F9O4S.C24H21F6O3S.C22H17F6O2S/c1-25(44,28(32,33)34)16-15-19-3-9-22(10-4-19)49(23-11-5-20(6-12-23)47-17-26(2,45)29(35,36)37)24-13-7-21(8-14-24)48-18-27(46,30(38,39)40)31(41,42)43;1-22(36,24(27,28)29)15-38-17-7-11-20(12-8-17)40(19-5-3-2-4-6-19)21-13-9-18(10-14-21)39-16-23(37,25(30,31)32)26(33,34)35;1-31-17-33-22(23(25,26)27,24(28,29)30)16-32-18-12-14-21(15-13-18)34(19-8-4-2-5-9-19)20-10-6-3-7-11-20;23-21(24,25)20(29,22(26,27)28)15-30-16-11-13-19(14-12-16)31(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h3-14,44-46H,15-18H2,1-2H3;2-14,36-37H,15-16H2,1H3;2-15H,16-17H2,1H3;1-14,29H,15H2/q4*+1
InChIKeyMDBTVXLIZIDPMQ-UHFFFAOYSA-N
XLogP27.32
TPSA195.22 Ų
H-Bond Donors6
H-Bond Acceptors14
Rotatable Bonds36
Heavy Atoms154
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002306.03
LogP ≤ 527.32
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze diphenyl-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium;diphenyl-[4-[3,3,3-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propoxy]phenyl]sulfanium;phenyl-[4-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)phenyl]-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium;[4-(4,4,4-trifluoro-3-hydroxy-3-methylbutyl)phenyl]-[4-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)phenyl]-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium 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 diphenyl-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium;diphenyl-[4-[3,3,3-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propoxy]phenyl]sulfanium;phenyl-[4-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)phenyl]-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium;[4-(4,4,4-trifluoro-3-hydroxy-3-methylbutyl)phenyl]-[4-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)phenyl]-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium?
The IUPAC name of diphenyl-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium;diphenyl-[4-[3,3,3-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propoxy]phenyl]sulfanium;phenyl-[4-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)phenyl]-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium;[4-(4,4,4-trifluoro-3-hydroxy-3-methylbutyl)phenyl]-[4-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)phenyl]-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium (CID 159531734) is diphenyl-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium;diphenyl-[4-[3,3,3-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propoxy]phenyl]sulfanium;phenyl-[4-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)phenyl]-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium;[4-(4,4,4-trifluoro-3-hydroxy-3-methylbutyl)phenyl]-[4-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)phenyl]-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium.
What is the SMILES notation for diphenyl-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium;diphenyl-[4-[3,3,3-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propoxy]phenyl]sulfanium;phenyl-[4-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)phenyl]-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium;[4-(4,4,4-trifluoro-3-hydroxy-3-methylbutyl)phenyl]-[4-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)phenyl]-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium?
The canonical SMILES for diphenyl-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium;diphenyl-[4-[3,3,3-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propoxy]phenyl]sulfanium;phenyl-[4-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)phenyl]-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium;[4-(4,4,4-trifluoro-3-hydroxy-3-methylbutyl)phenyl]-[4-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)phenyl]-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium is CC(O)(CCc1ccc([S+](c2ccc(OCC(C)(O)C(F)(F)F)cc2)c2ccc(OCC(O)(C(F)(F)F)C(F)(F)F)cc2)cc1)C(F)(F)F.CC(O)(COc1ccc([S+](c2ccccc2)c2ccc(OCC(O)(C(F)(F)F)C(F)(F)F)cc2)cc1)C(F)(F)F.COCOC(COc1ccc([S+](c2ccccc2)c2ccccc2)cc1)(C(F)(F)F)C(F)(F)F.OC(COc1ccc([S+](c2ccccc2)c2ccccc2)cc1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of diphenyl-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium;diphenyl-[4-[3,3,3-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propoxy]phenyl]sulfanium;phenyl-[4-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)phenyl]-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium;[4-(4,4,4-trifluoro-3-hydroxy-3-methylbutyl)phenyl]-[4-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)phenyl]-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium?
The InChIKey is MDBTVXLIZIDPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29F12O5S.C26H22F9O4S.C24H21F6O3S.C22H17F6O2S/c1-25(44,28(32,33)34)16-15-19-3-9-22(10-4-19)49(23-11-5-20(6-12-23)47-17-26(2,45)29(35,36)37)24-13-7-21(8-14-24)48-18-27(46,30(38,39)40)31(41,42)43;1-22(36,24(27,28)29)15-38-17-7-11-20(12-8-17)40(19-5-3-2-4-6-19)21-13-9-18(10-14-21)39-16-23(37,25(30,31)32)26(33,34)35;1-31-17-33-22(23(25,26)27,24(28,29)30)16-32-18-12-14-21(15-13-18)34(19-8-4-2-5-9-19)20-10-6-3-7-11-20;23-21(24,25)20(29,22(26,27)28)15-30-16-11-13-19(14-12-16)31(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h3-14,44-46H,15-18H2,1-2H3;2-14,36-37H,15-16H2,1H3;2-15H,16-17H2,1H3;1-14,29H,15H2/q4*+1.
What are the key properties of diphenyl-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium;diphenyl-[4-[3,3,3-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propoxy]phenyl]sulfanium;phenyl-[4-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)phenyl]-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium;[4-(4,4,4-trifluoro-3-hydroxy-3-methylbutyl)phenyl]-[4-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)phenyl]-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium?
diphenyl-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium;diphenyl-[4-[3,3,3-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propoxy]phenyl]sulfanium;phenyl-[4-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)phenyl]-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium;[4-(4,4,4-trifluoro-3-hydroxy-3-methylbutyl)phenyl]-[4-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)phenyl]-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium has a molecular weight of 2306.03 g/mol, XLogP of 27.32, 36 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium;diphenyl-[4-[3,3,3-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propoxy]phenyl]sulfanium;phenyl-[4-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)phenyl]-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium;[4-(4,4,4-trifluoro-3-hydroxy-3-methylbutyl)phenyl]-[4-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)phenyl]-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium is sourced from PubChem (CID 159531734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).