bis(4-tert-butylphenyl)-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium;(4-tert-butylphenyl)-phenyl-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium;(4-tert-butylphenyl)-phenyl-[4-[3,3,3-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propoxy]phenyl]sulfanium;[4-(2-methoxyethoxy)phenyl]-phenyl-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium

C109H110F24O11S4+4 — CID 159421527

IUPACbis(4-tert-butylphenyl)-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium;(4-tert-butylphenyl)-phenyl-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium;(4-tert-butylphenyl)-phenyl-[4-[3,3,3-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propoxy]phenyl]sulfanium;[4-(2-methoxyethoxy)phenyl]-phenyl-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium
SMILESCC(C)(C)c1ccc([S+](c2ccc(OCC(O)(C(F)(F)F)C(F)(F)F)cc2)c2ccc(C(C)(C)C)cc2)cc1.CC(C)(C)c1ccc([S+](c2ccccc2)c2ccc(OCC(O)(C(F)(F)F)C(F)(F)F)cc2)cc1.COCCOc1ccc([S+](c2ccccc2)c2ccc(OCC(O)(C(F)(F)F)C(F)(F)F)cc2)cc1.COCOC(COc1ccc([S+](c2ccccc2)c2ccc(C(C)(C)C)cc2)cc1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C30H33F6O2S.C28H29F6O3S.C26H25F6O2S.C25H23F6O4S/c1-26(2,3)20-7-13-23(14-8-20)39(24-15-9-21(10-16-24)27(4,5)6)25-17-11-22(12-18-25)38-19-28(37,29(31,32)33)30(34,35)36;1-25(2,3)20-10-14-23(15-11-20)38(22-8-6-5-7-9-22)24-16-12-21(13-17-24)36-18-26(27(29,30)31,28(32,33)34)37-19-35-4;1-23(2,3)18-9-13-21(14-10-18)35(20-7-5-4-6-8-20)22-15-11-19(12-16-22)34-17-24(33,25(27,28)29)26(30,31)32;1-33-15-16-34-18-7-11-21(12-8-18)36(20-5-3-2-4-6-20)22-13-9-19(10-14-22)35-17-23(32,24(26,27)28)25(29,30)31/h7-18,37H,19H2,1-6H3;5-17H,18-19H2,1-4H3;4-16,33H,17H2,1-3H3;2-14,32H,15-17H2,1H3/q4*+1
InChIKeyLPVDFGJOZVCMOJ-UHFFFAOYSA-N
MW2180.29 g/mol
LogP29.91
Rot. Bonds31

About bis(4-tert-butylphenyl)-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium;(4-tert-butylphenyl)-phenyl-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium;(4-tert-butylphenyl)-phenyl-[4-[3,3,3-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propoxy]phenyl]sulfanium;[4-(2-methoxyethoxy)phenyl]-phenyl-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium

bis(4-tert-butylphenyl)-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium;(4-tert-butylphenyl)-phenyl-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium;(4-tert-butylphenyl)-phenyl-[4-[3,3,3-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propoxy]phenyl]sulfanium;[4-(2-methoxyethoxy)phenyl]-phenyl-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium (PubChem CID 159421527) has the molecular formula C109H110F24O11S4+4 and a molecular weight of 2180.29 g/mol. Its IUPAC name is bis(4-tert-butylphenyl)-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium;(4-tert-butylphenyl)-phenyl-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium;(4-tert-butylphenyl)-phenyl-[4-[3,3,3-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propoxy]phenyl]sulfanium;[4-(2-methoxyethoxy)phenyl]-phenyl-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium.

Molecular Properties

Compound Namebis(4-tert-butylphenyl)-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium;(4-tert-butylphenyl)-phenyl-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium;(4-tert-butylphenyl)-phenyl-[4-[3,3,3-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propoxy]phenyl]sulfanium;[4-(2-methoxyethoxy)phenyl]-phenyl-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium
PubChem CID159421527
Molecular FormulaC109H110F24O11S4+4
Molecular Weight2180.29 g/mol
Exact Mass2178.65
IUPAC Namebis(4-tert-butylphenyl)-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium;(4-tert-butylphenyl)-phenyl-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium;(4-tert-butylphenyl)-phenyl-[4-[3,3,3-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propoxy]phenyl]sulfanium;[4-(2-methoxyethoxy)phenyl]-phenyl-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium
SMILESCC(C)(C)c1ccc([S+](c2ccc(OCC(O)(C(F)(F)F)C(F)(F)F)cc2)c2ccc(C(C)(C)C)cc2)cc1.CC(C)(C)c1ccc([S+](c2ccccc2)c2ccc(OCC(O)(C(F)(F)F)C(F)(F)F)cc2)cc1.COCCOc1ccc([S+](c2ccccc2)c2ccc(OCC(O)(C(F)(F)F)C(F)(F)F)cc2)cc1.COCOC(COc1ccc([S+](c2ccccc2)c2ccc(C(C)(C)C)cc2)cc1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C30H33F6O2S.C28H29F6O3S.C26H25F6O2S.C25H23F6O4S/c1-26(2,3)20-7-13-23(14-8-20)39(24-15-9-21(10-16-24)27(4,5)6)25-17-11-22(12-18-25)38-19-28(37,29(31,32)33)30(34,35)36;1-25(2,3)20-10-14-23(15-11-20)38(22-8-6-5-7-9-22)24-16-12-21(13-17-24)36-18-26(27(29,30)31,28(32,33)34)37-19-35-4;1-23(2,3)18-9-13-21(14-10-18)35(20-7-5-4-6-8-20)22-15-11-19(12-16-22)34-17-24(33,25(27,28)29)26(30,31)32;1-33-15-16-34-18-7-11-21(12-8-18)36(20-5-3-2-4-6-20)22-13-9-19(10-14-22)35-17-23(32,24(26,27)28)25(29,30)31/h7-18,37H,19H2,1-6H3;5-17H,18-19H2,1-4H3;4-16,33H,17H2,1-3H3;2-14,32H,15-17H2,1H3/q4*+1
InChIKeyLPVDFGJOZVCMOJ-UHFFFAOYSA-N
XLogP29.91
TPSA134.53 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds31
Heavy Atoms148
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002180.29
LogP ≤ 529.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze bis(4-tert-butylphenyl)-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium;(4-tert-butylphenyl)-phenyl-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium;(4-tert-butylphenyl)-phenyl-[4-[3,3,3-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propoxy]phenyl]sulfanium;[4-(2-methoxyethoxy)phenyl]-phenyl-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(4-tert-butylphenyl)-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium;(4-tert-butylphenyl)-phenyl-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium;(4-tert-butylphenyl)-phenyl-[4-[3,3,3-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propoxy]phenyl]sulfanium;[4-(2-methoxyethoxy)phenyl]-phenyl-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium?
The IUPAC name of bis(4-tert-butylphenyl)-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium;(4-tert-butylphenyl)-phenyl-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium;(4-tert-butylphenyl)-phenyl-[4-[3,3,3-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propoxy]phenyl]sulfanium;[4-(2-methoxyethoxy)phenyl]-phenyl-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium (CID 159421527) is bis(4-tert-butylphenyl)-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium;(4-tert-butylphenyl)-phenyl-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium;(4-tert-butylphenyl)-phenyl-[4-[3,3,3-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propoxy]phenyl]sulfanium;[4-(2-methoxyethoxy)phenyl]-phenyl-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium.
What is the SMILES notation for bis(4-tert-butylphenyl)-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium;(4-tert-butylphenyl)-phenyl-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium;(4-tert-butylphenyl)-phenyl-[4-[3,3,3-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propoxy]phenyl]sulfanium;[4-(2-methoxyethoxy)phenyl]-phenyl-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium?
The canonical SMILES for bis(4-tert-butylphenyl)-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium;(4-tert-butylphenyl)-phenyl-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium;(4-tert-butylphenyl)-phenyl-[4-[3,3,3-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propoxy]phenyl]sulfanium;[4-(2-methoxyethoxy)phenyl]-phenyl-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium is CC(C)(C)c1ccc([S+](c2ccc(OCC(O)(C(F)(F)F)C(F)(F)F)cc2)c2ccc(C(C)(C)C)cc2)cc1.CC(C)(C)c1ccc([S+](c2ccccc2)c2ccc(OCC(O)(C(F)(F)F)C(F)(F)F)cc2)cc1.COCCOc1ccc([S+](c2ccccc2)c2ccc(OCC(O)(C(F)(F)F)C(F)(F)F)cc2)cc1.COCOC(COc1ccc([S+](c2ccccc2)c2ccc(C(C)(C)C)cc2)cc1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of bis(4-tert-butylphenyl)-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium;(4-tert-butylphenyl)-phenyl-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium;(4-tert-butylphenyl)-phenyl-[4-[3,3,3-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propoxy]phenyl]sulfanium;[4-(2-methoxyethoxy)phenyl]-phenyl-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium?
The InChIKey is LPVDFGJOZVCMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33F6O2S.C28H29F6O3S.C26H25F6O2S.C25H23F6O4S/c1-26(2,3)20-7-13-23(14-8-20)39(24-15-9-21(10-16-24)27(4,5)6)25-17-11-22(12-18-25)38-19-28(37,29(31,32)33)30(34,35)36;1-25(2,3)20-10-14-23(15-11-20)38(22-8-6-5-7-9-22)24-16-12-21(13-17-24)36-18-26(27(29,30)31,28(32,33)34)37-19-35-4;1-23(2,3)18-9-13-21(14-10-18)35(20-7-5-4-6-8-20)22-15-11-19(12-16-22)34-17-24(33,25(27,28)29)26(30,31)32;1-33-15-16-34-18-7-11-21(12-8-18)36(20-5-3-2-4-6-20)22-13-9-19(10-14-22)35-17-23(32,24(26,27)28)25(29,30)31/h7-18,37H,19H2,1-6H3;5-17H,18-19H2,1-4H3;4-16,33H,17H2,1-3H3;2-14,32H,15-17H2,1H3/q4*+1.
What are the key properties of bis(4-tert-butylphenyl)-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium;(4-tert-butylphenyl)-phenyl-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium;(4-tert-butylphenyl)-phenyl-[4-[3,3,3-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propoxy]phenyl]sulfanium;[4-(2-methoxyethoxy)phenyl]-phenyl-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium?
bis(4-tert-butylphenyl)-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium;(4-tert-butylphenyl)-phenyl-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium;(4-tert-butylphenyl)-phenyl-[4-[3,3,3-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propoxy]phenyl]sulfanium;[4-(2-methoxyethoxy)phenyl]-phenyl-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium has a molecular weight of 2180.29 g/mol, XLogP of 29.91, 31 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-tert-butylphenyl)-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium;(4-tert-butylphenyl)-phenyl-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium;(4-tert-butylphenyl)-phenyl-[4-[3,3,3-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propoxy]phenyl]sulfanium;[4-(2-methoxyethoxy)phenyl]-phenyl-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium is sourced from PubChem (CID 159421527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).