[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

C93H59F13O10S — CID 59648952

IUPAC[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
SMILESO=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
InChIInChI=1S/C93H59F13O10S/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/h1-58,107H
InChIKeyMHJHYRGNAZYSMJ-UHFFFAOYSA-N
MW1615.53 g/mol
LogP24.99
Rot. Bonds24

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

[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 (PubChem CID 59648952) has the molecular formula C93H59F13O10S and a molecular weight of 1615.53 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.

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
PubChem CID59648952
Molecular FormulaC93H59F13O10S
Molecular Weight1615.53 g/mol
Exact Mass1614.36
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
SMILESO=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
InChIInChI=1S/C93H59F13O10S/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/h1-58,107H
InChIKeyMHJHYRGNAZYSMJ-UHFFFAOYSA-N
XLogP24.99
TPSA134.66 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds24
Heavy Atoms117
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001615.53
LogP ≤ 524.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze [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 with MolForge

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Related Compounds

[4-[4-[[4-[4-(4-fluorobenzoyl)phenoxy]phenyl]-diphenylmethyl]phenoxy]phenyl]-[4-[4-[4-[4-[4-[4-(4-hydroxyphenyl)sulfonylphenoxy]phenyl]sulfonylphenoxy]phenyl]sulfonylphenoxy]phenyl]methanone
CID 59648946
[4-[4-[2-[4-[4-[4-[4-[2-[4-[4-(4-chlorobenzoyl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-(4-chlorophenyl)methanone
CID 58795328
bis(4-methylphenyl)methanone;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene
CID 157198968
(4-chlorophenyl)-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]methanone
CID 59816947
(4-chlorophenyl)-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]methanone;(4-chlorophenyl)-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenoxy]phenyl]methanone
CID 91292573
1-(4-fluorophenyl)sulfonyl-4-phenoxybenzene
CID 853558
[4-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]phenyl]-[4-[4-(2-phenylpropan-2-yl)phenoxy]phenyl]methanone
CID 90444002
[4-[4-[2-[4-[4-[4-[4-[2-[4-[4-(2,5-dimethylbenzoyl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-(2,5-dimethylphenyl)methanone
CID 118474105
dipotassium;[3,5-bis(4-fluorobenzoyl)phenyl]-(4-fluorophenyl)methanone;1-[2-fluoro-5-(4-fluorophenyl)sulfonylphenyl]-N,N-dimethylmethanamine;4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol;1-[5-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-2-methylphenyl]-N,N-dimethylmethanamine;hydride;methane;oxido formate;hydrochloride
CID 161420533
benzene-1,4-diol;bis(4-fluorophenyl)methanone;(4-fluorophenyl)-[4-(2-phenylethynyl)phenyl]methanone;[4-[4-[4-[4-(2-phenylethynyl)benzoyl]phenoxy]phenoxy]phenyl]-[4-(2-phenylethynyl)phenyl]methanone
CID 160757901
1-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene
CID 59165224
1-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]-4-methylbenzene
CID 59008627

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?
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 (CID 59648952) 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.
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?
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 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.
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?
The InChIKey is MHJHYRGNAZYSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C93H59F13O10S/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/h1-58,107H.
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?
[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 has a molecular weight of 1615.53 g/mol, XLogP of 24.99, 24 rotatable bonds, 1 hydrogen bond donors, and 10 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 is sourced from PubChem (CID 59648952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).