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;[4-[4,4,5,5,5-pentafluoro-3-(methoxymethoxy)-2-methyl-3-(1,1,2,2,2-pentafluoroethyl)pentan-2-yl]sulfanylphenyl]-diphenylsulfanium

C126H105F42O9S9+5 — CID 158889441

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;[4-[4,4,5,5,5-pentafluoro-3-(methoxymethoxy)-2-methyl-3-(1,1,2,2,2-pentafluoroethyl)pentan-2-yl]sulfanylphenyl]-diphenylsulfanium

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;[4-[4,4,5,5,5-pentafluoro-3-(methoxymethoxy)-2-methyl-3-(1,1,2,2,2-pentafluoroethyl)pentan-2-yl]sulfanylphenyl]-diphenylsulfanium (PubChem CID 158889441) has the molecular formula C126H105F42O9S9+5 and a molecular weight of 2849.74 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;[4-[4,4,5,5,5-pentafluoro-3-(methoxymethoxy)-2-methyl-3-(1,1,2,2,2-pentafluoroethyl)pentan-2-yl]sulfanylphenyl]-diphenylsulfanium.

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;[4-[4,4,5,5,5-pentafluoro-3-(methoxymethoxy)-2-methyl-3-(1,1,2,2,2-pentafluoroethyl)pentan-2-yl]sulfanylphenyl]-diphenylsulfanium
• PubChem CID: 158889441
• Molecular Formula: C126H105F42O9S9+5
• Molecular Weight: 2849.74 g/mol
• Exact Mass: 2847.45
• 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;[4-[4,4,5,5,5-pentafluoro-3-(methoxymethoxy)-2-methyl-3-(1,1,2,2,2-pentafluoroethyl)pentan-2-yl]sulfanylphenyl]-diphenylsulfanium
• SMILES: CC(C)(Sc1ccc([S+](c2ccccc2)c2ccccc2)cc1)C(O)(C(F)(F)F)C(F)(F)F.COCOC(C(C)(C)Sc1ccc([S+](c2ccccc2)c2ccccc2)cc1)(C(F)(F)C(F)(F)F)C(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(CSc1ccc([S+](c2ccccc2)c2ccccc2)cc1)(C(F)(F)F)C(F)(F)F
• InChI: InChI=1S/C28H21F14O3S.C28H25F10O2S2.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;1-23(2,24(40-18-39-3,25(29,30)27(33,34)35)26(31,32)28(36,37)38)41-19-14-16-22(17-15-19)42(20-10-6-4-7-11-20)21-12-8-5-9-13-21;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;4-17H,18H2,1-3H3;2-15H,16-17H2,1H3;3-16,31H,1-2H3;1-14,29H,15H2/q5*+1
• InChIKey: JEASRPMOWGZIDP-UHFFFAOYSA-N
• XLogP: 40.19
• TPSA: 105.07 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 45
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2849.74
LogP ≤ 5	40.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

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;[4-[4,4,5,5,5-pentafluoro-3-(methoxymethoxy)-2-methyl-3-(1,1,2,2,2-pentafluoroethyl)pentan-2-yl]sulfanylphenyl]-diphenylsulfanium?

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;[4-[4,4,5,5,5-pentafluoro-3-(methoxymethoxy)-2-methyl-3-(1,1,2,2,2-pentafluoroethyl)pentan-2-yl]sulfanylphenyl]-diphenylsulfanium (CID 158889441) 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;[4-[4,4,5,5,5-pentafluoro-3-(methoxymethoxy)-2-methyl-3-(1,1,2,2,2-pentafluoroethyl)pentan-2-yl]sulfanylphenyl]-diphenylsulfanium.

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;[4-[4,4,5,5,5-pentafluoro-3-(methoxymethoxy)-2-methyl-3-(1,1,2,2,2-pentafluoroethyl)pentan-2-yl]sulfanylphenyl]-diphenylsulfanium?

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;[4-[4,4,5,5,5-pentafluoro-3-(methoxymethoxy)-2-methyl-3-(1,1,2,2,2-pentafluoroethyl)pentan-2-yl]sulfanylphenyl]-diphenylsulfanium is CC(C)(Sc1ccc([S+](c2ccccc2)c2ccccc2)cc1)C(O)(C(F)(F)F)C(F)(F)F.COCOC(C(C)(C)Sc1ccc([S+](c2ccccc2)c2ccccc2)cc1)(C(F)(F)C(F)(F)F)C(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(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;[4-[4,4,5,5,5-pentafluoro-3-(methoxymethoxy)-2-methyl-3-(1,1,2,2,2-pentafluoroethyl)pentan-2-yl]sulfanylphenyl]-diphenylsulfanium?

The InChIKey is JEASRPMOWGZIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21F14O3S.C28H25F10O2S2.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;1-23(2,24(40-18-39-3,25(29,30)27(33,34)35)26(31,32)28(36,37)38)41-19-14-16-22(17-15-19)42(20-10-6-4-7-11-20)21-12-8-5-9-13-21;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;4-17H,18H2,1-3H3;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;[4-[4,4,5,5,5-pentafluoro-3-(methoxymethoxy)-2-methyl-3-(1,1,2,2,2-pentafluoroethyl)pentan-2-yl]sulfanylphenyl]-diphenylsulfanium?

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;[4-[4,4,5,5,5-pentafluoro-3-(methoxymethoxy)-2-methyl-3-(1,1,2,2,2-pentafluoroethyl)pentan-2-yl]sulfanylphenyl]-diphenylsulfanium has a molecular weight of 2849.74 g/mol, XLogP of 40.19, 45 rotatable bonds, 2 hydrogen bond donors, and 13 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;[4-[4,4,5,5,5-pentafluoro-3-(methoxymethoxy)-2-methyl-3-(1,1,2,2,2-pentafluoroethyl)pentan-2-yl]sulfanylphenyl]-diphenylsulfanium is sourced from PubChem (CID 158889441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).