About [4-[4-[9-[4-[4-(4-fluorobenzoyl)phenoxy]phenyl]fluoren-9-yl]phenoxy]phenyl]-[4-[4-[4-[4-[4-[4-(4-hydroxyphenyl)sulfonylphenoxy]phenyl]sulfonylphenoxy]phenyl]sulfonylphenoxy]phenyl]methanone
[4-[4-[9-[4-[4-(4-fluorobenzoyl)phenoxy]phenyl]fluoren-9-yl]phenoxy]phenyl]-[4-[4-[4-[4-[4-[4-(4-hydroxyphenyl)sulfonylphenoxy]phenyl]sulfonylphenoxy]phenyl]sulfonylphenoxy]phenyl]methanone (PubChem CID 59648951) has the molecular formula C87H57FO14S3
and a molecular weight of 1441.60 g/mol. Its IUPAC name is [4-[4-[9-[4-[4-(4-fluorobenzoyl)phenoxy]phenyl]fluoren-9-yl]phenoxy]phenyl]-[4-[4-[4-[4-[4-[4-(4-hydroxyphenyl)sulfonylphenoxy]phenyl]sulfonylphenoxy]phenyl]sulfonylphenoxy]phenyl]methanone.
Molecular Properties
| Compound Name | [4-[4-[9-[4-[4-(4-fluorobenzoyl)phenoxy]phenyl]fluoren-9-yl]phenoxy]phenyl]-[4-[4-[4-[4-[4-[4-(4-hydroxyphenyl)sulfonylphenoxy]phenyl]sulfonylphenoxy]phenyl]sulfonylphenoxy]phenyl]methanone |
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| PubChem CID | 59648951 |
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| Molecular Formula | C87H57FO14S3 |
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| Molecular Weight | 1441.60 g/mol |
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| Exact Mass | 1440.29 |
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| IUPAC Name | [4-[4-[9-[4-[4-(4-fluorobenzoyl)phenoxy]phenyl]fluoren-9-yl]phenoxy]phenyl]-[4-[4-[4-[4-[4-[4-(4-hydroxyphenyl)sulfonylphenoxy]phenyl]sulfonylphenoxy]phenyl]sulfonylphenoxy]phenyl]methanone |
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| SMILES | O=C(c1ccc(F)cc1)c1ccc(Oc2ccc(C3(c4ccc(Oc5ccc(C(=O)c6ccc(Oc7ccc(S(=O)(=O)c8ccc(Oc9ccc(S(=O)(=O)c%10ccc(Oc%11ccc(S(=O)(=O)c%12ccc(O)cc%12)cc%11)cc%10)cc9)cc8)cc7)cc6)cc5)cc4)c4ccccc4-c4ccccc43)cc2)cc1 |
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| InChI | InChI=1S/C87H57FO14S3/c88-63-21-9-57(10-22-63)85(90)58-11-25-65(26-12-58)98-68-31-17-61(18-32-68)87(83-7-3-1-5-81(83)82-6-2-4-8-84(82)87)62-19-33-69(34-20-62)99-66-27-13-59(14-28-66)86(91)60-15-29-67(30-16-60)100-70-35-49-77(50-36-70)104(94,95)78-51-41-73(42-52-78)102-74-43-55-80(56-44-74)105(96,97)79-53-39-72(40-54-79)101-71-37-47-76(48-38-71)103(92,93)75-45-23-64(89)24-46-75/h1-56,89H |
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| InChIKey | DOHAAMVFEAQPFB-UHFFFAOYSA-N |
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| XLogP | 19.82 |
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| TPSA | 202.94 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 14 |
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| Rotatable Bonds | 22 |
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| Heavy Atoms | 105 |
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| Complexity | — |
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Lipinski Rule of Five
3 violations
| Rule | Value |
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| MW ≤ 500 | 1441.60 |
| LogP ≤ 5 | 19.82 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 14 |
Analyze [4-[4-[9-[4-[4-(4-fluorobenzoyl)phenoxy]phenyl]fluoren-9-yl]phenoxy]phenyl]-[4-[4-[4-[4-[4-[4-(4-hydroxyphenyl)sulfonylphenoxy]phenyl]sulfonylphenoxy]phenyl]sulfonylphenoxy]phenyl]methanone with MolForge
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Frequently Asked Questions
What is the IUPAC name of [4-[4-[9-[4-[4-(4-fluorobenzoyl)phenoxy]phenyl]fluoren-9-yl]phenoxy]phenyl]-[4-[4-[4-[4-[4-[4-(4-hydroxyphenyl)sulfonylphenoxy]phenyl]sulfonylphenoxy]phenyl]sulfonylphenoxy]phenyl]methanone?
The IUPAC name of [4-[4-[9-[4-[4-(4-fluorobenzoyl)phenoxy]phenyl]fluoren-9-yl]phenoxy]phenyl]-[4-[4-[4-[4-[4-[4-(4-hydroxyphenyl)sulfonylphenoxy]phenyl]sulfonylphenoxy]phenyl]sulfonylphenoxy]phenyl]methanone (CID 59648951) is [4-[4-[9-[4-[4-(4-fluorobenzoyl)phenoxy]phenyl]fluoren-9-yl]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-[9-[4-[4-(4-fluorobenzoyl)phenoxy]phenyl]fluoren-9-yl]phenoxy]phenyl]-[4-[4-[4-[4-[4-[4-(4-hydroxyphenyl)sulfonylphenoxy]phenyl]sulfonylphenoxy]phenyl]sulfonylphenoxy]phenyl]methanone?
The canonical SMILES for [4-[4-[9-[4-[4-(4-fluorobenzoyl)phenoxy]phenyl]fluoren-9-yl]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(C3(c4ccc(Oc5ccc(C(=O)c6ccc(Oc7ccc(S(=O)(=O)c8ccc(Oc9ccc(S(=O)(=O)c%10ccc(Oc%11ccc(S(=O)(=O)c%12ccc(O)cc%12)cc%11)cc%10)cc9)cc8)cc7)cc6)cc5)cc4)c4ccccc4-c4ccccc43)cc2)cc1.
What is the InChIKey of [4-[4-[9-[4-[4-(4-fluorobenzoyl)phenoxy]phenyl]fluoren-9-yl]phenoxy]phenyl]-[4-[4-[4-[4-[4-[4-(4-hydroxyphenyl)sulfonylphenoxy]phenyl]sulfonylphenoxy]phenyl]sulfonylphenoxy]phenyl]methanone?
The InChIKey is DOHAAMVFEAQPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C87H57FO14S3/c88-63-21-9-57(10-22-63)85(90)58-11-25-65(26-12-58)98-68-31-17-61(18-32-68)87(83-7-3-1-5-81(83)82-6-2-4-8-84(82)87)62-19-33-69(34-20-62)99-66-27-13-59(14-28-66)86(91)60-15-29-67(30-16-60)100-70-35-49-77(50-36-70)104(94,95)78-51-41-73(42-52-78)102-74-43-55-80(56-44-74)105(96,97)79-53-39-72(40-54-79)101-71-37-47-76(48-38-71)103(92,93)75-45-23-64(89)24-46-75/h1-56,89H.
What are the key properties of [4-[4-[9-[4-[4-(4-fluorobenzoyl)phenoxy]phenyl]fluoren-9-yl]phenoxy]phenyl]-[4-[4-[4-[4-[4-[4-(4-hydroxyphenyl)sulfonylphenoxy]phenyl]sulfonylphenoxy]phenyl]sulfonylphenoxy]phenyl]methanone?
[4-[4-[9-[4-[4-(4-fluorobenzoyl)phenoxy]phenyl]fluoren-9-yl]phenoxy]phenyl]-[4-[4-[4-[4-[4-[4-(4-hydroxyphenyl)sulfonylphenoxy]phenyl]sulfonylphenoxy]phenyl]sulfonylphenoxy]phenyl]methanone has a molecular weight of 1441.60 g/mol, XLogP of 19.82, 22 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[9-[4-[4-(4-fluorobenzoyl)phenoxy]phenyl]fluoren-9-yl]phenoxy]phenyl]-[4-[4-[4-[4-[4-[4-(4-hydroxyphenyl)sulfonylphenoxy]phenyl]sulfonylphenoxy]phenyl]sulfonylphenoxy]phenyl]methanone is sourced from PubChem (CID 59648951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).