[4-[4-[[4-[4-(4-fluorobenzoyl)phenoxy]phenyl]-diphenylmethyl]phenoxy]phenyl]-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]methanone;sulfuric acid

C93H61F13O14S2 — CID 91558427

About [4-[4-[[4-[4-(4-fluorobenzoyl)phenoxy]phenyl]-diphenylmethyl]phenoxy]phenyl]-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]methanone;sulfuric acid

[4-[4-[[4-[4-(4-fluorobenzoyl)phenoxy]phenyl]-diphenylmethyl]phenoxy]phenyl]-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]methanone;sulfuric acid (PubChem CID 91558427) has the molecular formula C93H61F13O14S2 and a molecular weight of 1713.60 g/mol. Its IUPAC name is [4-[4-[[4-[4-(4-fluorobenzoyl)phenoxy]phenyl]-diphenylmethyl]phenoxy]phenyl]-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]methanone;sulfuric acid.

Molecular Properties

• Compound Name: [4-[4-[[4-[4-(4-fluorobenzoyl)phenoxy]phenyl]-diphenylmethyl]phenoxy]phenyl]-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]methanone;sulfuric acid
• PubChem CID: 91558427
• Molecular Formula: C93H61F13O14S2
• Molecular Weight: 1713.60 g/mol
• Exact Mass: 1712.33
• IUPAC Name: [4-[4-[[4-[4-(4-fluorobenzoyl)phenoxy]phenyl]-diphenylmethyl]phenoxy]phenyl]-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]methanone;sulfuric acid
• SMILES: O=C(c1ccc(F)cc1)c1ccc(Oc2ccc(C(c3ccccc3)(c3ccccc3)c3ccc(Oc4ccc(C(=O)c5ccc(Oc6ccc(C(c7ccc(Oc8ccc(S(=O)(=O)c9ccc(Oc%10ccc(C(c%11ccc(O)cc%11)(C(F)(F)F)C(F)(F)F)cc%10)cc9)cc8)cc7)(C(F)(F)F)C(F)(F)F)cc6)cc5)cc4)cc3)cc2)cc1.O=S(=O)(O)O
• InChI: InChI=1S/C93H59F13O10S.H2O4S/c94-71-31-11-59(12-32-71)85(108)60-13-35-73(36-14-60)112-76-41-21-65(22-42-76)87(63-7-3-1-4-8-63,64-9-5-2-6-10-64)66-23-43-77(44-24-66)113-74-37-15-61(16-38-74)86(109)62-17-39-75(40-18-62)114-78-45-27-69(28-46-78)89(92(101,102)103,93(104,105)106)70-29-49-80(50-30-70)116-82-53-57-84(58-54-82)117(110,111)83-55-51-81(52-56-83)115-79-47-25-68(26-48-79)88(90(95,96)97,91(98,99)100)67-19-33-72(107)34-20-67;1-5(2,3)4/h1-58,107H;(H2,1,2,3,4)
• InChIKey: NBYAZPOCJHPOBG-UHFFFAOYSA-N
• XLogP: 24.34
• TPSA: 209.26 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 24
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1713.60
LogP ≤ 5	24.34
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-[4-[[4-[4-(4-fluorobenzoyl)phenoxy]phenyl]-diphenylmethyl]phenoxy]phenyl]-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]methanone;sulfuric acid?

The IUPAC name of [4-[4-[[4-[4-(4-fluorobenzoyl)phenoxy]phenyl]-diphenylmethyl]phenoxy]phenyl]-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]methanone;sulfuric acid (CID 91558427) is [4-[4-[[4-[4-(4-fluorobenzoyl)phenoxy]phenyl]-diphenylmethyl]phenoxy]phenyl]-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]methanone;sulfuric acid.

What is the SMILES notation for [4-[4-[[4-[4-(4-fluorobenzoyl)phenoxy]phenyl]-diphenylmethyl]phenoxy]phenyl]-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]methanone;sulfuric acid?

The canonical SMILES for [4-[4-[[4-[4-(4-fluorobenzoyl)phenoxy]phenyl]-diphenylmethyl]phenoxy]phenyl]-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]methanone;sulfuric acid is O=C(c1ccc(F)cc1)c1ccc(Oc2ccc(C(c3ccccc3)(c3ccccc3)c3ccc(Oc4ccc(C(=O)c5ccc(Oc6ccc(C(c7ccc(Oc8ccc(S(=O)(=O)c9ccc(Oc%10ccc(C(c%11ccc(O)cc%11)(C(F)(F)F)C(F)(F)F)cc%10)cc9)cc8)cc7)(C(F)(F)F)C(F)(F)F)cc6)cc5)cc4)cc3)cc2)cc1.O=S(=O)(O)O.

What is the InChIKey of [4-[4-[[4-[4-(4-fluorobenzoyl)phenoxy]phenyl]-diphenylmethyl]phenoxy]phenyl]-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]methanone;sulfuric acid?

The InChIKey is NBYAZPOCJHPOBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C93H59F13O10S.H2O4S/c94-71-31-11-59(12-32-71)85(108)60-13-35-73(36-14-60)112-76-41-21-65(22-42-76)87(63-7-3-1-4-8-63,64-9-5-2-6-10-64)66-23-43-77(44-24-66)113-74-37-15-61(16-38-74)86(109)62-17-39-75(40-18-62)114-78-45-27-69(28-46-78)89(92(101,102)103,93(104,105)106)70-29-49-80(50-30-70)116-82-53-57-84(58-54-82)117(110,111)83-55-51-81(52-56-83)115-79-47-25-68(26-48-79)88(90(95,96)97,91(98,99)100)67-19-33-72(107)34-20-67;1-5(2,3)4/h1-58,107H;(H2,1,2,3,4).

What are the key properties of [4-[4-[[4-[4-(4-fluorobenzoyl)phenoxy]phenyl]-diphenylmethyl]phenoxy]phenyl]-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]methanone;sulfuric acid?

[4-[4-[[4-[4-(4-fluorobenzoyl)phenoxy]phenyl]-diphenylmethyl]phenoxy]phenyl]-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]methanone;sulfuric acid has a molecular weight of 1713.60 g/mol, XLogP of 24.34, 24 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[4-[[4-[4-(4-fluorobenzoyl)phenoxy]phenyl]-diphenylmethyl]phenoxy]phenyl]-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]methanone;sulfuric acid is sourced from PubChem (CID 91558427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).