dipotassium;2,5-dihydroxybenzenesulfonate;1-ethynyl-2,4-difluorobenzene;5-(2-ethynyl-5-methylphenoxy)-2-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]phenoxy]benzenesulfonate;4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol;1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)benzene

C84H40F32K2O14S2 — CID 161338225

About dipotassium;2,5-dihydroxybenzenesulfonate;1-ethynyl-2,4-difluorobenzene;5-(2-ethynyl-5-methylphenoxy)-2-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]phenoxy]benzenesulfonate;4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol;1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)benzene

dipotassium;2,5-dihydroxybenzenesulfonate;1-ethynyl-2,4-difluorobenzene;5-(2-ethynyl-5-methylphenoxy)-2-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]phenoxy]benzenesulfonate;4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol;1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)benzene (PubChem CID 161338225) has the molecular formula C84H40F32K2O14S2 and a molecular weight of 2023.50 g/mol. Its IUPAC name is dipotassium;2,5-dihydroxybenzenesulfonate;1-ethynyl-2,4-difluorobenzene;5-(2-ethynyl-5-methylphenoxy)-2-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]phenoxy]benzenesulfonate;4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol;1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)benzene.

Molecular Properties

• Compound Name: dipotassium;2,5-dihydroxybenzenesulfonate;1-ethynyl-2,4-difluorobenzene;5-(2-ethynyl-5-methylphenoxy)-2-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]phenoxy]benzenesulfonate;4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol;1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)benzene
• PubChem CID: 161338225
• Molecular Formula: C84H40F32K2O14S2
• Molecular Weight: 2023.50 g/mol
• Exact Mass: 2022.06
• IUPAC Name: dipotassium;2,5-dihydroxybenzenesulfonate;1-ethynyl-2,4-difluorobenzene;5-(2-ethynyl-5-methylphenoxy)-2-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]phenoxy]benzenesulfonate;4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol;1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)benzene
• SMILES: C#Cc1ccc(C)cc1Oc1ccc(Oc2c(F)c(F)c(-c3c(F)c(F)c(Oc4ccc(C(c5ccc(OC)cc5)(C(F)(F)F)C(F)(F)F)cc4)c(F)c3F)c(F)c2F)c(S(=O)(=O)[O-])c1.C#Cc1ccc(F)cc1F.Fc1c(F)c(F)c(-c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.O=S(=O)([O-])c1cc(O)ccc1O.Oc1ccc(C(c2ccc(O)cc2)(C(F)(F)F)C(F)(F)F)cc1.[K+].[K+]
• InChI: InChI=1S/C43H22F14O7S.C15H10F6O2.C12F10.C8H4F2.C6H6O5S.2K/c1-4-20-6-5-19(2)17-27(20)62-25-15-16-26(28(18-25)65(58,59)60)64-40-37(50)33(46)30(34(47)38(40)51)29-31(44)35(48)39(36(49)32(29)45)63-24-13-9-22(10-14-24)41(42(52,53)54,43(55,56)57)21-7-11-23(61-3)12-8-21;16-14(17,18)13(15(19,20)21,9-1-5-11(22)6-2-9)10-3-7-12(23)8-4-10;13-3-1(4(14)8(18)11(21)7(3)17)2-5(15)9(19)12(22)10(20)6(2)16;1-2-6-3-4-7(9)5-8(6)10;7-4-1-2-5(8)6(3-4)12(9,10)11;;/h1,5-18H,2-3H3,(H,58,59,60);1-8,22-23H;;1,3-5H;1-3,7-8H,(H,9,10,11);;/q;;;;;2*+1/p-2
• InChIKey: VMIBNHOIXJTYCE-UHFFFAOYSA-L
• XLogP: 17.67
• TPSA: 232.24 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 15
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2023.50
LogP ≤ 5	17.67
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dipotassium;2,5-dihydroxybenzenesulfonate;1-ethynyl-2,4-difluorobenzene;5-(2-ethynyl-5-methylphenoxy)-2-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]phenoxy]benzenesulfonate;4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol;1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)benzene?

The IUPAC name of dipotassium;2,5-dihydroxybenzenesulfonate;1-ethynyl-2,4-difluorobenzene;5-(2-ethynyl-5-methylphenoxy)-2-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]phenoxy]benzenesulfonate;4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol;1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)benzene (CID 161338225) is dipotassium;2,5-dihydroxybenzenesulfonate;1-ethynyl-2,4-difluorobenzene;5-(2-ethynyl-5-methylphenoxy)-2-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]phenoxy]benzenesulfonate;4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol;1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)benzene.

What is the SMILES notation for dipotassium;2,5-dihydroxybenzenesulfonate;1-ethynyl-2,4-difluorobenzene;5-(2-ethynyl-5-methylphenoxy)-2-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]phenoxy]benzenesulfonate;4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol;1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)benzene?

The canonical SMILES for dipotassium;2,5-dihydroxybenzenesulfonate;1-ethynyl-2,4-difluorobenzene;5-(2-ethynyl-5-methylphenoxy)-2-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]phenoxy]benzenesulfonate;4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol;1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)benzene is C#Cc1ccc(C)cc1Oc1ccc(Oc2c(F)c(F)c(-c3c(F)c(F)c(Oc4ccc(C(c5ccc(OC)cc5)(C(F)(F)F)C(F)(F)F)cc4)c(F)c3F)c(F)c2F)c(S(=O)(=O)[O-])c1.C#Cc1ccc(F)cc1F.Fc1c(F)c(F)c(-c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.O=S(=O)([O-])c1cc(O)ccc1O.Oc1ccc(C(c2ccc(O)cc2)(C(F)(F)F)C(F)(F)F)cc1.[K+].[K+].

What is the InChIKey of dipotassium;2,5-dihydroxybenzenesulfonate;1-ethynyl-2,4-difluorobenzene;5-(2-ethynyl-5-methylphenoxy)-2-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]phenoxy]benzenesulfonate;4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol;1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)benzene?

The InChIKey is VMIBNHOIXJTYCE-UHFFFAOYSA-L. The full InChI is InChI=1S/C43H22F14O7S.C15H10F6O2.C12F10.C8H4F2.C6H6O5S.2K/c1-4-20-6-5-19(2)17-27(20)62-25-15-16-26(28(18-25)65(58,59)60)64-40-37(50)33(46)30(34(47)38(40)51)29-31(44)35(48)39(36(49)32(29)45)63-24-13-9-22(10-14-24)41(42(52,53)54,43(55,56)57)21-7-11-23(61-3)12-8-21;16-14(17,18)13(15(19,20)21,9-1-5-11(22)6-2-9)10-3-7-12(23)8-4-10;13-3-1(4(14)8(18)11(21)7(3)17)2-5(15)9(19)12(22)10(20)6(2)16;1-2-6-3-4-7(9)5-8(6)10;7-4-1-2-5(8)6(3-4)12(9,10)11;;/h1,5-18H,2-3H3,(H,58,59,60);1-8,22-23H;;1,3-5H;1-3,7-8H,(H,9,10,11);;/q;;;;;2*+1/p-2.

What are the key properties of dipotassium;2,5-dihydroxybenzenesulfonate;1-ethynyl-2,4-difluorobenzene;5-(2-ethynyl-5-methylphenoxy)-2-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]phenoxy]benzenesulfonate;4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol;1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)benzene?

dipotassium;2,5-dihydroxybenzenesulfonate;1-ethynyl-2,4-difluorobenzene;5-(2-ethynyl-5-methylphenoxy)-2-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]phenoxy]benzenesulfonate;4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol;1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)benzene has a molecular weight of 2023.50 g/mol, XLogP of 17.67, 15 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for dipotassium;2,5-dihydroxybenzenesulfonate;1-ethynyl-2,4-difluorobenzene;5-(2-ethynyl-5-methylphenoxy)-2-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]phenoxy]benzenesulfonate;4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol;1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)benzene is sourced from PubChem (CID 161338225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).