[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

C87H59FO14S3 — CID 59648946

About [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

[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 (PubChem CID 59648946) has the molecular formula C87H59FO14S3 and a molecular weight of 1443.61 g/mol. Its IUPAC name is [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.

Molecular Properties

• Compound Name: [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
• PubChem CID: 59648946
• Molecular Formula: C87H59FO14S3
• Molecular Weight: 1443.61 g/mol
• Exact Mass: 1442.31
• IUPAC Name: [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
• SMILES: O=C(c1ccc(F)cc1)c1ccc(Oc2ccc(C(c3ccccc3)(c3ccccc3)c3ccc(Oc4ccc(C(=O)c5ccc(Oc6ccc(S(=O)(=O)c7ccc(Oc8ccc(S(=O)(=O)c9ccc(Oc%10ccc(S(=O)(=O)c%11ccc(O)cc%11)cc%10)cc9)cc8)cc7)cc6)cc5)cc4)cc3)cc2)cc1
• InChI: InChI=1S/C87H59FO14S3/c88-67-23-11-59(12-24-67)85(90)60-13-27-69(28-14-60)98-72-33-19-65(20-34-72)87(63-7-3-1-4-8-63,64-9-5-2-6-10-64)66-21-35-73(36-22-66)99-70-29-15-61(16-30-70)86(91)62-17-31-71(32-18-62)100-74-37-51-81(52-38-74)104(94,95)82-53-43-77(44-54-82)102-78-45-57-84(58-46-78)105(96,97)83-55-41-76(42-56-83)101-75-39-49-80(50-40-75)103(92,93)79-47-25-68(89)26-48-79/h1-58,89H
• InChIKey: OTNGPVLBMGWKCW-UHFFFAOYSA-N
• XLogP: 19.84
• TPSA: 202.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 14
• Rotatable Bonds: 24
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1443.61
LogP ≤ 5	19.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'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-[4-[4-[4-[4-(4-hydroxyphenyl)sulfonylphenoxy]phenyl]sulfonylphenoxy]phenyl]sulfonylphenoxy]phenyl]methanone?

The IUPAC name of [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) is [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.

What is the SMILES notation for [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?

The canonical SMILES for [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 is O=C(c1ccc(F)cc1)c1ccc(Oc2ccc(C(c3ccccc3)(c3ccccc3)c3ccc(Oc4ccc(C(=O)c5ccc(Oc6ccc(S(=O)(=O)c7ccc(Oc8ccc(S(=O)(=O)c9ccc(Oc%10ccc(S(=O)(=O)c%11ccc(O)cc%11)cc%10)cc9)cc8)cc7)cc6)cc5)cc4)cc3)cc2)cc1.

What is the InChIKey of [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?

The InChIKey is OTNGPVLBMGWKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C87H59FO14S3/c88-67-23-11-59(12-24-67)85(90)60-13-27-69(28-14-60)98-72-33-19-65(20-34-72)87(63-7-3-1-4-8-63,64-9-5-2-6-10-64)66-21-35-73(36-22-66)99-70-29-15-61(16-30-70)86(91)62-17-31-71(32-18-62)100-74-37-51-81(52-38-74)104(94,95)82-53-43-77(44-54-82)102-78-45-57-84(58-46-78)105(96,97)83-55-41-76(42-56-83)101-75-39-49-80(50-40-75)103(92,93)79-47-25-68(89)26-48-79/h1-58,89H.

What are the key properties of [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?

[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 has a molecular weight of 1443.61 g/mol, XLogP of 19.84, 24 rotatable bonds, 1 hydrogen bond donors, and 14 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-[4-[4-[4-[4-(4-hydroxyphenyl)sulfonylphenoxy]phenyl]sulfonylphenoxy]phenyl]sulfonylphenoxy]phenyl]methanone is sourced from PubChem (CID 59648946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).