2-[4-[4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4-(4-sulfanylphenyl)sulfanylphenyl]sulfanylphenyl]phenoxy]phenyl]phenoxy]-5-[4-[4-[4-[4-[4-[4-[4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4-(4-sulfanylphenyl)sulfanylphenyl]sulfanylphenyl]phenoxy]phenyl]phenoxy]phenyl]sulfonylphenoxy]phenyl]phenoxy]phenyl]sulfonylbenzenesulfonic acid

C108H58F16O13S9 — CID 129155441

IUPAC2-[4-[4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4-(4-sulfanylphenyl)sulfanylphenyl]sulfanylphenyl]phenoxy]phenyl]phenoxy]-5-[4-[4-[4-[4-[4-[4-[4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4-(4-sulfanylphenyl)sulfanylphenyl]sulfanylphenyl]phenoxy]phenyl]phenoxy]phenyl]sulfonylphenoxy]phenyl]phenoxy]phenyl]sulfonylbenzenesulfonic acid
SMILESO=S(=O)(O)c1cc(S(=O)(=O)c2ccc(Oc3ccc(-c4ccc(Oc5ccc(S(=O)(=O)c6ccc(Oc7ccc(-c8ccc(Oc9c(F)c(F)c(-c%10c(F)c(F)c(Sc%11ccc(Sc%12ccc(S)cc%12)cc%11)c(F)c%10F)c(F)c9F)cc8)cc7)cc6)cc5)cc4)cc3)cc2)ccc1Oc1ccc(-c2ccc(Oc3c(F)c(F)c(-c4c(F)c(F)c(Sc5ccc(Sc6ccc(S)cc6)cc5)c(F)c4F)c(F)c3F)cc2)cc1
InChIInChI=1S/C108H58F16O13S9/c109-89-85(87-93(113)101(121)107(102(122)94(87)114)142-77-43-39-75(40-44-77)140-73-35-31-71(138)32-36-73)90(110)98(118)105(97(89)117)136-69-21-9-60(10-22-69)58-5-17-63(18-6-58)133-66-27-49-80(50-28-66)144(125,126)79-47-25-65(26-48-79)132-62-13-1-56(2-14-62)57-3-15-64(16-4-57)134-67-29-51-81(52-30-67)145(127,128)82-53-54-83(84(55-82)146(129,130)131)135-68-19-7-59(8-20-68)61-11-23-70(24-12-61)137-106-99(119)91(111)86(92(112)100(106)120)88-95(115)103(123)108(104(124)96(88)116)143-78-45-41-76(42-46-78)141-74-37-33-72(139)34-38-74/h1-55,138-139H,(H,129,130,131)
InChIKeyJMOFBRRRYDOKHP-UHFFFAOYSA-N
MW2156.21 g/mol
LogP33.10
Rot. Bonds30

About 2-[4-[4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4-(4-sulfanylphenyl)sulfanylphenyl]sulfanylphenyl]phenoxy]phenyl]phenoxy]-5-[4-[4-[4-[4-[4-[4-[4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4-(4-sulfanylphenyl)sulfanylphenyl]sulfanylphenyl]phenoxy]phenyl]phenoxy]phenyl]sulfonylphenoxy]phenyl]phenoxy]phenyl]sulfonylbenzenesulfonic acid

2-[4-[4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4-(4-sulfanylphenyl)sulfanylphenyl]sulfanylphenyl]phenoxy]phenyl]phenoxy]-5-[4-[4-[4-[4-[4-[4-[4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4-(4-sulfanylphenyl)sulfanylphenyl]sulfanylphenyl]phenoxy]phenyl]phenoxy]phenyl]sulfonylphenoxy]phenyl]phenoxy]phenyl]sulfonylbenzenesulfonic acid (PubChem CID 129155441) has the molecular formula C108H58F16O13S9 and a molecular weight of 2156.21 g/mol. Its IUPAC name is 2-[4-[4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4-(4-sulfanylphenyl)sulfanylphenyl]sulfanylphenyl]phenoxy]phenyl]phenoxy]-5-[4-[4-[4-[4-[4-[4-[4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4-(4-sulfanylphenyl)sulfanylphenyl]sulfanylphenyl]phenoxy]phenyl]phenoxy]phenyl]sulfonylphenoxy]phenyl]phenoxy]phenyl]sulfonylbenzenesulfonic acid.

Molecular Properties

Compound Name2-[4-[4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4-(4-sulfanylphenyl)sulfanylphenyl]sulfanylphenyl]phenoxy]phenyl]phenoxy]-5-[4-[4-[4-[4-[4-[4-[4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4-(4-sulfanylphenyl)sulfanylphenyl]sulfanylphenyl]phenoxy]phenyl]phenoxy]phenyl]sulfonylphenoxy]phenyl]phenoxy]phenyl]sulfonylbenzenesulfonic acid
PubChem CID129155441
Molecular FormulaC108H58F16O13S9
Molecular Weight2156.21 g/mol
Exact Mass2154.11
IUPAC Name2-[4-[4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4-(4-sulfanylphenyl)sulfanylphenyl]sulfanylphenyl]phenoxy]phenyl]phenoxy]-5-[4-[4-[4-[4-[4-[4-[4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4-(4-sulfanylphenyl)sulfanylphenyl]sulfanylphenyl]phenoxy]phenyl]phenoxy]phenyl]sulfonylphenoxy]phenyl]phenoxy]phenyl]sulfonylbenzenesulfonic acid
SMILESO=S(=O)(O)c1cc(S(=O)(=O)c2ccc(Oc3ccc(-c4ccc(Oc5ccc(S(=O)(=O)c6ccc(Oc7ccc(-c8ccc(Oc9c(F)c(F)c(-c%10c(F)c(F)c(Sc%11ccc(Sc%12ccc(S)cc%12)cc%11)c(F)c%10F)c(F)c9F)cc8)cc7)cc6)cc5)cc4)cc3)cc2)ccc1Oc1ccc(-c2ccc(Oc3c(F)c(F)c(-c4c(F)c(F)c(Sc5ccc(Sc6ccc(S)cc6)cc5)c(F)c4F)c(F)c3F)cc2)cc1
InChIInChI=1S/C108H58F16O13S9/c109-89-85(87-93(113)101(121)107(102(122)94(87)114)142-77-43-39-75(40-44-77)140-73-35-31-71(138)32-36-73)90(110)98(118)105(97(89)117)136-69-21-9-60(10-22-69)58-5-17-63(18-6-58)133-66-27-49-80(50-28-66)144(125,126)79-47-25-65(26-48-79)132-62-13-1-56(2-14-62)57-3-15-64(16-4-57)134-67-29-51-81(52-30-67)145(127,128)82-53-54-83(84(55-82)146(129,130)131)135-68-19-7-59(8-20-68)61-11-23-70(24-12-61)137-106-99(119)91(111)86(92(112)100(106)120)88-95(115)103(123)108(104(124)96(88)116)143-78-45-41-76(42-46-78)141-74-37-33-72(139)34-38-74/h1-55,138-139H,(H,129,130,131)
InChIKeyJMOFBRRRYDOKHP-UHFFFAOYSA-N
XLogP33.10
TPSA178.03 Ų
H-Bond Donors3
H-Bond Acceptors18
Rotatable Bonds30
Heavy Atoms146
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002156.21
LogP ≤ 533.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 2-[4-[4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4-(4-sulfanylphenyl)sulfanylphenyl]sulfanylphenyl]phenoxy]phenyl]phenoxy]-5-[4-[4-[4-[4-[4-[4-[4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4-(4-sulfanylphenyl)sulfanylphenyl]sulfanylphenyl]phenoxy]phenyl]phenoxy]phenyl]sulfonylphenoxy]phenyl]phenoxy]phenyl]sulfonylbenzenesulfonic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4-(4-sulfanylphenyl)sulfanylphenyl]sulfanylphenyl]phenoxy]phenyl]phenoxy]-5-[4-[4-[4-[4-[4-[4-[4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4-(4-sulfanylphenyl)sulfanylphenyl]sulfanylphenyl]phenoxy]phenyl]phenoxy]phenyl]sulfonylphenoxy]phenyl]phenoxy]phenyl]sulfonylbenzenesulfonic acid?
The IUPAC name of 2-[4-[4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4-(4-sulfanylphenyl)sulfanylphenyl]sulfanylphenyl]phenoxy]phenyl]phenoxy]-5-[4-[4-[4-[4-[4-[4-[4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4-(4-sulfanylphenyl)sulfanylphenyl]sulfanylphenyl]phenoxy]phenyl]phenoxy]phenyl]sulfonylphenoxy]phenyl]phenoxy]phenyl]sulfonylbenzenesulfonic acid (CID 129155441) is 2-[4-[4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4-(4-sulfanylphenyl)sulfanylphenyl]sulfanylphenyl]phenoxy]phenyl]phenoxy]-5-[4-[4-[4-[4-[4-[4-[4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4-(4-sulfanylphenyl)sulfanylphenyl]sulfanylphenyl]phenoxy]phenyl]phenoxy]phenyl]sulfonylphenoxy]phenyl]phenoxy]phenyl]sulfonylbenzenesulfonic acid.
What is the SMILES notation for 2-[4-[4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4-(4-sulfanylphenyl)sulfanylphenyl]sulfanylphenyl]phenoxy]phenyl]phenoxy]-5-[4-[4-[4-[4-[4-[4-[4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4-(4-sulfanylphenyl)sulfanylphenyl]sulfanylphenyl]phenoxy]phenyl]phenoxy]phenyl]sulfonylphenoxy]phenyl]phenoxy]phenyl]sulfonylbenzenesulfonic acid?
The canonical SMILES for 2-[4-[4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4-(4-sulfanylphenyl)sulfanylphenyl]sulfanylphenyl]phenoxy]phenyl]phenoxy]-5-[4-[4-[4-[4-[4-[4-[4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4-(4-sulfanylphenyl)sulfanylphenyl]sulfanylphenyl]phenoxy]phenyl]phenoxy]phenyl]sulfonylphenoxy]phenyl]phenoxy]phenyl]sulfonylbenzenesulfonic acid is O=S(=O)(O)c1cc(S(=O)(=O)c2ccc(Oc3ccc(-c4ccc(Oc5ccc(S(=O)(=O)c6ccc(Oc7ccc(-c8ccc(Oc9c(F)c(F)c(-c%10c(F)c(F)c(Sc%11ccc(Sc%12ccc(S)cc%12)cc%11)c(F)c%10F)c(F)c9F)cc8)cc7)cc6)cc5)cc4)cc3)cc2)ccc1Oc1ccc(-c2ccc(Oc3c(F)c(F)c(-c4c(F)c(F)c(Sc5ccc(Sc6ccc(S)cc6)cc5)c(F)c4F)c(F)c3F)cc2)cc1.
What is the InChIKey of 2-[4-[4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4-(4-sulfanylphenyl)sulfanylphenyl]sulfanylphenyl]phenoxy]phenyl]phenoxy]-5-[4-[4-[4-[4-[4-[4-[4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4-(4-sulfanylphenyl)sulfanylphenyl]sulfanylphenyl]phenoxy]phenyl]phenoxy]phenyl]sulfonylphenoxy]phenyl]phenoxy]phenyl]sulfonylbenzenesulfonic acid?
The InChIKey is JMOFBRRRYDOKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C108H58F16O13S9/c109-89-85(87-93(113)101(121)107(102(122)94(87)114)142-77-43-39-75(40-44-77)140-73-35-31-71(138)32-36-73)90(110)98(118)105(97(89)117)136-69-21-9-60(10-22-69)58-5-17-63(18-6-58)133-66-27-49-80(50-28-66)144(125,126)79-47-25-65(26-48-79)132-62-13-1-56(2-14-62)57-3-15-64(16-4-57)134-67-29-51-81(52-30-67)145(127,128)82-53-54-83(84(55-82)146(129,130)131)135-68-19-7-59(8-20-68)61-11-23-70(24-12-61)137-106-99(119)91(111)86(92(112)100(106)120)88-95(115)103(123)108(104(124)96(88)116)143-78-45-41-76(42-46-78)141-74-37-33-72(139)34-38-74/h1-55,138-139H,(H,129,130,131).
What are the key properties of 2-[4-[4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4-(4-sulfanylphenyl)sulfanylphenyl]sulfanylphenyl]phenoxy]phenyl]phenoxy]-5-[4-[4-[4-[4-[4-[4-[4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4-(4-sulfanylphenyl)sulfanylphenyl]sulfanylphenyl]phenoxy]phenyl]phenoxy]phenyl]sulfonylphenoxy]phenyl]phenoxy]phenyl]sulfonylbenzenesulfonic acid?
2-[4-[4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4-(4-sulfanylphenyl)sulfanylphenyl]sulfanylphenyl]phenoxy]phenyl]phenoxy]-5-[4-[4-[4-[4-[4-[4-[4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4-(4-sulfanylphenyl)sulfanylphenyl]sulfanylphenyl]phenoxy]phenyl]phenoxy]phenyl]sulfonylphenoxy]phenyl]phenoxy]phenyl]sulfonylbenzenesulfonic acid has a molecular weight of 2156.21 g/mol, XLogP of 33.10, 30 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4-(4-sulfanylphenyl)sulfanylphenyl]sulfanylphenyl]phenoxy]phenyl]phenoxy]-5-[4-[4-[4-[4-[4-[4-[4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4-(4-sulfanylphenyl)sulfanylphenyl]sulfanylphenyl]phenoxy]phenyl]phenoxy]phenyl]sulfonylphenoxy]phenyl]phenoxy]phenyl]sulfonylbenzenesulfonic acid is sourced from PubChem (CID 129155441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).