dipotassium;2,5-dihydroxybenzenesulfonate;1-ethynyl-3,5-difluorobenzene;5-(3-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 157464322

IUPACdipotassium;2,5-dihydroxybenzenesulfonate;1-ethynyl-3,5-difluorobenzene;5-(3-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
SMILESC#Cc1cc(C)cc(Oc2ccc(Oc3c(F)c(F)c(-c4c(F)c(F)c(Oc5ccc(C(c6ccc(OC)cc6)(C(F)(F)F)C(F)(F)F)cc5)c(F)c4F)c(F)c3F)c(S(=O)(=O)[O-])c2)c1.C#Cc1cc(F)cc(F)c1.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+]
InChIInChI=1S/C43H22F14O7S.C15H10F6O2.C12F10.C8H4F2.C6H6O5S.2K/c1-4-20-15-19(2)16-26(17-20)62-25-13-14-27(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)63-24-11-7-22(8-12-24)41(42(52,53)54,43(55,56)57)21-5-9-23(61-3)10-6-21;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;1-2-6-3-7(9)5-8(10)4-6;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
InChIKeyBUHHIZUFUSCDMW-UHFFFAOYSA-L
MW2023.50 g/mol
LogP17.67
Rot. Bonds15

About dipotassium;2,5-dihydroxybenzenesulfonate;1-ethynyl-3,5-difluorobenzene;5-(3-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-3,5-difluorobenzene;5-(3-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 157464322) has the molecular formula C84H40F32K2O14S2 and a molecular weight of 2023.50 g/mol. Its IUPAC name is dipotassium;2,5-dihydroxybenzenesulfonate;1-ethynyl-3,5-difluorobenzene;5-(3-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 Namedipotassium;2,5-dihydroxybenzenesulfonate;1-ethynyl-3,5-difluorobenzene;5-(3-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 CID157464322
Molecular FormulaC84H40F32K2O14S2
Molecular Weight2023.50 g/mol
Exact Mass2022.06
IUPAC Namedipotassium;2,5-dihydroxybenzenesulfonate;1-ethynyl-3,5-difluorobenzene;5-(3-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
SMILESC#Cc1cc(C)cc(Oc2ccc(Oc3c(F)c(F)c(-c4c(F)c(F)c(Oc5ccc(C(c6ccc(OC)cc6)(C(F)(F)F)C(F)(F)F)cc5)c(F)c4F)c(F)c3F)c(S(=O)(=O)[O-])c2)c1.C#Cc1cc(F)cc(F)c1.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+]
InChIInChI=1S/C43H22F14O7S.C15H10F6O2.C12F10.C8H4F2.C6H6O5S.2K/c1-4-20-15-19(2)16-26(17-20)62-25-13-14-27(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)63-24-11-7-22(8-12-24)41(42(52,53)54,43(55,56)57)21-5-9-23(61-3)10-6-21;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;1-2-6-3-7(9)5-8(10)4-6;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
InChIKeyBUHHIZUFUSCDMW-UHFFFAOYSA-L
XLogP17.67
TPSA232.24 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds15
Heavy Atoms134
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002023.50
LogP ≤ 517.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

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'}

Analyze dipotassium;2,5-dihydroxybenzenesulfonate;1-ethynyl-3,5-difluorobenzene;5-(3-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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of dipotassium;2,5-dihydroxybenzenesulfonate;1-ethynyl-3,5-difluorobenzene;5-(3-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-3,5-difluorobenzene;5-(3-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 157464322) is dipotassium;2,5-dihydroxybenzenesulfonate;1-ethynyl-3,5-difluorobenzene;5-(3-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-3,5-difluorobenzene;5-(3-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-3,5-difluorobenzene;5-(3-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#Cc1cc(C)cc(Oc2ccc(Oc3c(F)c(F)c(-c4c(F)c(F)c(Oc5ccc(C(c6ccc(OC)cc6)(C(F)(F)F)C(F)(F)F)cc5)c(F)c4F)c(F)c3F)c(S(=O)(=O)[O-])c2)c1.C#Cc1cc(F)cc(F)c1.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-3,5-difluorobenzene;5-(3-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 BUHHIZUFUSCDMW-UHFFFAOYSA-L. The full InChI is InChI=1S/C43H22F14O7S.C15H10F6O2.C12F10.C8H4F2.C6H6O5S.2K/c1-4-20-15-19(2)16-26(17-20)62-25-13-14-27(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)63-24-11-7-22(8-12-24)41(42(52,53)54,43(55,56)57)21-5-9-23(61-3)10-6-21;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;1-2-6-3-7(9)5-8(10)4-6;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-3,5-difluorobenzene;5-(3-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-3,5-difluorobenzene;5-(3-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-3,5-difluorobenzene;5-(3-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 157464322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).