diphenyl-[4-[4,4,4-trifluoro-3-hydroxy-2-methyl-3-(trifluoromethyl)butan-2-yl]sulfanylphenyl]sulfanium;diphenyl-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]sulfanylphenyl]sulfanium;diphenyl-[4-[3,3,3-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propyl]sulfanylphenyl]sulfanium;[4-[3,3,4,4,5,5,5-heptafluoro-2-(1,1,2,2,3,3,3-heptafluoropropyl)-2-(methoxymethoxy)pentoxy]phenyl]-diphenylsulfanium;naphthalen-2-yl-phenyl-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium

C124H99F38O9S8+5 — CID 158011277

About diphenyl-[4-[4,4,4-trifluoro-3-hydroxy-2-methyl-3-(trifluoromethyl)butan-2-yl]sulfanylphenyl]sulfanium;diphenyl-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]sulfanylphenyl]sulfanium;diphenyl-[4-[3,3,3-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propyl]sulfanylphenyl]sulfanium;[4-[3,3,4,4,5,5,5-heptafluoro-2-(1,1,2,2,3,3,3-heptafluoropropyl)-2-(methoxymethoxy)pentoxy]phenyl]-diphenylsulfanium;naphthalen-2-yl-phenyl-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium

diphenyl-[4-[4,4,4-trifluoro-3-hydroxy-2-methyl-3-(trifluoromethyl)butan-2-yl]sulfanylphenyl]sulfanium;diphenyl-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]sulfanylphenyl]sulfanium;diphenyl-[4-[3,3,3-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propyl]sulfanylphenyl]sulfanium;[4-[3,3,4,4,5,5,5-heptafluoro-2-(1,1,2,2,3,3,3-heptafluoropropyl)-2-(methoxymethoxy)pentoxy]phenyl]-diphenylsulfanium;naphthalen-2-yl-phenyl-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium (PubChem CID 158011277) has the molecular formula C124H99F38O9S8+5 and a molecular weight of 2711.61 g/mol. Its IUPAC name is diphenyl-[4-[4,4,4-trifluoro-3-hydroxy-2-methyl-3-(trifluoromethyl)butan-2-yl]sulfanylphenyl]sulfanium;diphenyl-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]sulfanylphenyl]sulfanium;diphenyl-[4-[3,3,3-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propyl]sulfanylphenyl]sulfanium;[4-[3,3,4,4,5,5,5-heptafluoro-2-(1,1,2,2,3,3,3-heptafluoropropyl)-2-(methoxymethoxy)pentoxy]phenyl]-diphenylsulfanium;naphthalen-2-yl-phenyl-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium.

Molecular Properties

• Compound Name: diphenyl-[4-[4,4,4-trifluoro-3-hydroxy-2-methyl-3-(trifluoromethyl)butan-2-yl]sulfanylphenyl]sulfanium;diphenyl-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]sulfanylphenyl]sulfanium;diphenyl-[4-[3,3,3-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propyl]sulfanylphenyl]sulfanium;[4-[3,3,4,4,5,5,5-heptafluoro-2-(1,1,2,2,3,3,3-heptafluoropropyl)-2-(methoxymethoxy)pentoxy]phenyl]-diphenylsulfanium;naphthalen-2-yl-phenyl-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium
• PubChem CID: 158011277
• Molecular Formula: C124H99F38O9S8+5
• Molecular Weight: 2711.61 g/mol
• Exact Mass: 2709.44
• IUPAC Name: diphenyl-[4-[4,4,4-trifluoro-3-hydroxy-2-methyl-3-(trifluoromethyl)butan-2-yl]sulfanylphenyl]sulfanium;diphenyl-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]sulfanylphenyl]sulfanium;diphenyl-[4-[3,3,3-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propyl]sulfanylphenyl]sulfanium;[4-[3,3,4,4,5,5,5-heptafluoro-2-(1,1,2,2,3,3,3-heptafluoropropyl)-2-(methoxymethoxy)pentoxy]phenyl]-diphenylsulfanium;naphthalen-2-yl-phenyl-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium
• SMILES: CC(C)(Sc1ccc([S+](c2ccccc2)c2ccccc2)cc1)C(O)(C(F)(F)F)C(F)(F)F.COCOC(COc1ccc([S+](c2ccccc2)c2ccccc2)cc1)(C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F.COCOC(CSc1ccc([S+](c2ccccc2)c2ccccc2)cc1)(C(F)(F)F)C(F)(F)F.OC(COc1ccc([S+](c2ccccc2)c2ccc3ccccc3c2)cc1)(C(F)(F)F)C(F)(F)F.OC(CSc1ccc([S+](c2ccccc2)c2ccccc2)cc1)(C(F)(F)F)C(F)(F)F
• InChI: InChI=1S/C28H21F14O3S.C26H19F6O2S.C24H21F6O2S2.C24H21F6OS2.C22H17F6OS2/c1-43-17-45-22(23(29,30)25(33,34)27(37,38)39,24(31,32)26(35,36)28(40,41)42)16-44-18-12-14-21(15-13-18)46(19-8-4-2-5-9-19)20-10-6-3-7-11-20;27-25(28,29)24(33,26(30,31)32)17-34-20-11-14-22(15-12-20)35(21-8-2-1-3-9-21)23-13-10-18-6-4-5-7-19(18)16-23;1-31-17-32-22(23(25,26)27,24(28,29)30)16-33-18-12-14-21(15-13-18)34(19-8-4-2-5-9-19)20-10-6-3-7-11-20;1-21(2,22(31,23(25,26)27)24(28,29)30)32-17-13-15-20(16-14-17)33(18-9-5-3-6-10-18)19-11-7-4-8-12-19;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/h2-15H,16-17H2,1H3;1-16,33H,17H2;2-15H,16-17H2,1H3;3-16,31H,1-2H3;1-14,29H,15H2/q5*+1
• InChIKey: FEXJVRMSMLZOOA-UHFFFAOYSA-N
• XLogP: 37.95
• TPSA: 116.07 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 40
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2711.61
LogP ≤ 5	37.95
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

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'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of diphenyl-[4-[4,4,4-trifluoro-3-hydroxy-2-methyl-3-(trifluoromethyl)butan-2-yl]sulfanylphenyl]sulfanium;diphenyl-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]sulfanylphenyl]sulfanium;diphenyl-[4-[3,3,3-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propyl]sulfanylphenyl]sulfanium;[4-[3,3,4,4,5,5,5-heptafluoro-2-(1,1,2,2,3,3,3-heptafluoropropyl)-2-(methoxymethoxy)pentoxy]phenyl]-diphenylsulfanium;naphthalen-2-yl-phenyl-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium?

The IUPAC name of diphenyl-[4-[4,4,4-trifluoro-3-hydroxy-2-methyl-3-(trifluoromethyl)butan-2-yl]sulfanylphenyl]sulfanium;diphenyl-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]sulfanylphenyl]sulfanium;diphenyl-[4-[3,3,3-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propyl]sulfanylphenyl]sulfanium;[4-[3,3,4,4,5,5,5-heptafluoro-2-(1,1,2,2,3,3,3-heptafluoropropyl)-2-(methoxymethoxy)pentoxy]phenyl]-diphenylsulfanium;naphthalen-2-yl-phenyl-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium (CID 158011277) is diphenyl-[4-[4,4,4-trifluoro-3-hydroxy-2-methyl-3-(trifluoromethyl)butan-2-yl]sulfanylphenyl]sulfanium;diphenyl-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]sulfanylphenyl]sulfanium;diphenyl-[4-[3,3,3-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propyl]sulfanylphenyl]sulfanium;[4-[3,3,4,4,5,5,5-heptafluoro-2-(1,1,2,2,3,3,3-heptafluoropropyl)-2-(methoxymethoxy)pentoxy]phenyl]-diphenylsulfanium;naphthalen-2-yl-phenyl-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium.

What is the SMILES notation for diphenyl-[4-[4,4,4-trifluoro-3-hydroxy-2-methyl-3-(trifluoromethyl)butan-2-yl]sulfanylphenyl]sulfanium;diphenyl-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]sulfanylphenyl]sulfanium;diphenyl-[4-[3,3,3-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propyl]sulfanylphenyl]sulfanium;[4-[3,3,4,4,5,5,5-heptafluoro-2-(1,1,2,2,3,3,3-heptafluoropropyl)-2-(methoxymethoxy)pentoxy]phenyl]-diphenylsulfanium;naphthalen-2-yl-phenyl-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium?

The canonical SMILES for diphenyl-[4-[4,4,4-trifluoro-3-hydroxy-2-methyl-3-(trifluoromethyl)butan-2-yl]sulfanylphenyl]sulfanium;diphenyl-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]sulfanylphenyl]sulfanium;diphenyl-[4-[3,3,3-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propyl]sulfanylphenyl]sulfanium;[4-[3,3,4,4,5,5,5-heptafluoro-2-(1,1,2,2,3,3,3-heptafluoropropyl)-2-(methoxymethoxy)pentoxy]phenyl]-diphenylsulfanium;naphthalen-2-yl-phenyl-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium is CC(C)(Sc1ccc([S+](c2ccccc2)c2ccccc2)cc1)C(O)(C(F)(F)F)C(F)(F)F.COCOC(COc1ccc([S+](c2ccccc2)c2ccccc2)cc1)(C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F.COCOC(CSc1ccc([S+](c2ccccc2)c2ccccc2)cc1)(C(F)(F)F)C(F)(F)F.OC(COc1ccc([S+](c2ccccc2)c2ccc3ccccc3c2)cc1)(C(F)(F)F)C(F)(F)F.OC(CSc1ccc([S+](c2ccccc2)c2ccccc2)cc1)(C(F)(F)F)C(F)(F)F.

What is the InChIKey of diphenyl-[4-[4,4,4-trifluoro-3-hydroxy-2-methyl-3-(trifluoromethyl)butan-2-yl]sulfanylphenyl]sulfanium;diphenyl-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]sulfanylphenyl]sulfanium;diphenyl-[4-[3,3,3-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propyl]sulfanylphenyl]sulfanium;[4-[3,3,4,4,5,5,5-heptafluoro-2-(1,1,2,2,3,3,3-heptafluoropropyl)-2-(methoxymethoxy)pentoxy]phenyl]-diphenylsulfanium;naphthalen-2-yl-phenyl-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium?

The InChIKey is FEXJVRMSMLZOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21F14O3S.C26H19F6O2S.C24H21F6O2S2.C24H21F6OS2.C22H17F6OS2/c1-43-17-45-22(23(29,30)25(33,34)27(37,38)39,24(31,32)26(35,36)28(40,41)42)16-44-18-12-14-21(15-13-18)46(19-8-4-2-5-9-19)20-10-6-3-7-11-20;27-25(28,29)24(33,26(30,31)32)17-34-20-11-14-22(15-12-20)35(21-8-2-1-3-9-21)23-13-10-18-6-4-5-7-19(18)16-23;1-31-17-32-22(23(25,26)27,24(28,29)30)16-33-18-12-14-21(15-13-18)34(19-8-4-2-5-9-19)20-10-6-3-7-11-20;1-21(2,22(31,23(25,26)27)24(28,29)30)32-17-13-15-20(16-14-17)33(18-9-5-3-6-10-18)19-11-7-4-8-12-19;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/h2-15H,16-17H2,1H3;1-16,33H,17H2;2-15H,16-17H2,1H3;3-16,31H,1-2H3;1-14,29H,15H2/q5*+1.

What are the key properties of diphenyl-[4-[4,4,4-trifluoro-3-hydroxy-2-methyl-3-(trifluoromethyl)butan-2-yl]sulfanylphenyl]sulfanium;diphenyl-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]sulfanylphenyl]sulfanium;diphenyl-[4-[3,3,3-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propyl]sulfanylphenyl]sulfanium;[4-[3,3,4,4,5,5,5-heptafluoro-2-(1,1,2,2,3,3,3-heptafluoropropyl)-2-(methoxymethoxy)pentoxy]phenyl]-diphenylsulfanium;naphthalen-2-yl-phenyl-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium?

diphenyl-[4-[4,4,4-trifluoro-3-hydroxy-2-methyl-3-(trifluoromethyl)butan-2-yl]sulfanylphenyl]sulfanium;diphenyl-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]sulfanylphenyl]sulfanium;diphenyl-[4-[3,3,3-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propyl]sulfanylphenyl]sulfanium;[4-[3,3,4,4,5,5,5-heptafluoro-2-(1,1,2,2,3,3,3-heptafluoropropyl)-2-(methoxymethoxy)pentoxy]phenyl]-diphenylsulfanium;naphthalen-2-yl-phenyl-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium has a molecular weight of 2711.61 g/mol, XLogP of 37.95, 40 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for diphenyl-[4-[4,4,4-trifluoro-3-hydroxy-2-methyl-3-(trifluoromethyl)butan-2-yl]sulfanylphenyl]sulfanium;diphenyl-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]sulfanylphenyl]sulfanium;diphenyl-[4-[3,3,3-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propyl]sulfanylphenyl]sulfanium;[4-[3,3,4,4,5,5,5-heptafluoro-2-(1,1,2,2,3,3,3-heptafluoropropyl)-2-(methoxymethoxy)pentoxy]phenyl]-diphenylsulfanium;naphthalen-2-yl-phenyl-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium is sourced from PubChem (CID 158011277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).