2-[4-[4-[5-[2-(1,3-Dioxo-2-benzofuran-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-5-[2-[2-[4-[4-[5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]isoindole-1,3-dione

C81H34F18N4O16 — CID 156126204

IUPAC2-[4-[4-[5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-5-[2-[2-[4-[4-[5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]isoindole-1,3-dione
SMILESC1=CC(=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)C(C4=CC5=C(C=C4)C(=O)N(C5=O)C6=CC=C(C=C6)OC7=CC=C(C=C7)N8C(=O)C9=C(C8=O)C=C(C=C9)C(C1=CC2=C(C=C1)C(=O)OC2=O)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F)OC1=CC=C(C=C1)N1C(=O)C2=C(C1=O)C=C(C=C2)C(C1=CC2=C(C=C1)C(=O)OC2=O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C81H34F18N4O16/c82-76(83,84)73(77(85,86)87,35-1-23-49-55(29-35)65(108)100(61(49)104)41-7-15-45(16-8-41)116-47-19-11-43(12-20-47)102-63(106)51-25-3-37(31-57(51)67(102)110)74(78(88,89)90,79(91,92)93)39-5-27-53-59(33-39)71(114)118-69(53)112)36-2-24-50-56(30-36)66(109)101(62(50)105)42-9-17-46(18-10-42)117-48-21-13-44(14-22-48)103-64(107)52-26-4-38(32-58(52)68(103)111)75(80(94,95)96,81(97,98)99)40-6-28-54-60(34-40)72(115)119-70(54)113/h1-34H
InChIKeyVJAYQLDRZRQAIW-UHFFFAOYSA-N
MW1661.10 g/mol
LogP17.70
Rot. Bonds14

About 2-[4-[4-[5-[2-(1,3-Dioxo-2-benzofuran-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-5-[2-[2-[4-[4-[5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]isoindole-1,3-dione

2-[4-[4-[5-[2-(1,3-Dioxo-2-benzofuran-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-5-[2-[2-[4-[4-[5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]isoindole-1,3-dione (PubChem CID 156126204) has the molecular formula C81H34F18N4O16 and a molecular weight of 1661.10 g/mol. Its IUPAC name is 2-[4-[4-[5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-5-[2-[2-[4-[4-[5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[4-[4-[5-[2-(1,3-Dioxo-2-benzofuran-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-5-[2-[2-[4-[4-[5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]isoindole-1,3-dione
PubChem CID156126204
Molecular FormulaC81H34F18N4O16
Molecular Weight1661.10 g/mol
Exact Mass1660.17
IUPAC Name2-[4-[4-[5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-5-[2-[2-[4-[4-[5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]isoindole-1,3-dione
SMILESC1=CC(=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)C(C4=CC5=C(C=C4)C(=O)N(C5=O)C6=CC=C(C=C6)OC7=CC=C(C=C7)N8C(=O)C9=C(C8=O)C=C(C=C9)C(C1=CC2=C(C=C1)C(=O)OC2=O)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F)OC1=CC=C(C=C1)N1C(=O)C2=C(C1=O)C=C(C=C2)C(C1=CC2=C(C=C1)C(=O)OC2=O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C81H34F18N4O16/c82-76(83,84)73(77(85,86)87,35-1-23-49-55(29-35)65(108)100(61(49)104)41-7-15-45(16-8-41)116-47-19-11-43(12-20-47)102-63(106)51-25-3-37(31-57(51)67(102)110)74(78(88,89)90,79(91,92)93)39-5-27-53-59(33-39)71(114)118-69(53)112)36-2-24-50-56(30-36)66(109)101(62(50)105)42-9-17-46(18-10-42)117-48-21-13-44(14-22-48)103-64(107)52-26-4-38(32-58(52)68(103)111)75(80(94,95)96,81(97,98)99)40-6-28-54-60(34-40)72(115)119-70(54)113/h1-34H
InChIKeyVJAYQLDRZRQAIW-UHFFFAOYSA-N
XLogP17.70
TPSA255.00 Ų
H-Bond Donors
H-Bond Acceptors34
Rotatable Bonds14
Heavy Atoms119
Complexity3790

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001661.10
LogP ≤ 517.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-[4-[4-[5-[2-(1,3-Dioxo-2-benzofuran-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-5-[2-[2-[4-[4-[5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]isoindole-1,3-dione with MolForge

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Related Compounds

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N,N'-Bis[4-(4-aminophenoxy)phenyl]pyromellitic diimide
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CID 139055727
2-(4-{4-[1-{4-[4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)phenoxy]phenyl}-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]phenoxy}phenyl)-1H-isoindole-1,3(2H)-dione
CID 9540274
5-[1,1,1,3,3,3-Hexafluoro-2-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione
CID 18714643
2-[4-(4-Aminophenoxy)phenyl]-5-[2-[2-[4-(4-aminophenoxy)phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]isoindole-1,3-dione
CID 19914845
5-[2-[2-[4-[4-Tert-butyl-2-(4-methylphenoxy)phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione
CID 20679342
2-[4-[5-Tert-butyl-2-[4-[5-[1,1,1,3,3,3-hexafluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenoxy]phenyl]-6-[4-(4-methylphenoxy)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 20679359
2-[4-[4-[1,1,1,3,3,3-Hexafluoro-2-[4-(4-propan-2-ylphenoxy)phenyl]propan-2-yl]phenoxy]phenyl]isoindole-1,3-dione
CID 20685052
2-[4-[4-(2,5-Dioxopyrrol-1-yl)-2,3,5,6-tetrafluorophenoxy]-2,3,5,6-tetrafluorophenyl]-5-[2-[2-[4-[4-(2,5-dioxopyrrol-1-yl)-2,3,5,6-tetrafluorophenoxy]-2,3,5,6-tetrafluorophenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]isoindole-1,3-dione
CID 20695329
5-[1,1,1,3,3,3-Hexafluoro-2-[2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[5-[1,1,1,3,3,3-hexafluoro-2-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-1,3-dioxoisoindol-2-yl]phenyl]propan-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione
CID 20727118

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[5-[2-(1,3-Dioxo-2-benzofuran-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-5-[2-[2-[4-[4-[5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]isoindole-1,3-dione?
The IUPAC name of 2-[4-[4-[5-[2-(1,3-Dioxo-2-benzofuran-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-5-[2-[2-[4-[4-[5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]isoindole-1,3-dione (CID 156126204) is 2-[4-[4-[5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-5-[2-[2-[4-[4-[5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]isoindole-1,3-dione.
What is the SMILES notation for 2-[4-[4-[5-[2-(1,3-Dioxo-2-benzofuran-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-5-[2-[2-[4-[4-[5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]isoindole-1,3-dione?
The canonical SMILES for 2-[4-[4-[5-[2-(1,3-Dioxo-2-benzofuran-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-5-[2-[2-[4-[4-[5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]isoindole-1,3-dione is C1=CC(=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)C(C4=CC5=C(C=C4)C(=O)N(C5=O)C6=CC=C(C=C6)OC7=CC=C(C=C7)N8C(=O)C9=C(C8=O)C=C(C=C9)C(C1=CC2=C(C=C1)C(=O)OC2=O)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F)OC1=CC=C(C=C1)N1C(=O)C2=C(C1=O)C=C(C=C2)C(C1=CC2=C(C=C1)C(=O)OC2=O)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-[4-[4-[5-[2-(1,3-Dioxo-2-benzofuran-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-5-[2-[2-[4-[4-[5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]isoindole-1,3-dione?
The InChIKey is VJAYQLDRZRQAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H34F18N4O16/c82-76(83,84)73(77(85,86)87,35-1-23-49-55(29-35)65(108)100(61(49)104)41-7-15-45(16-8-41)116-47-19-11-43(12-20-47)102-63(106)51-25-3-37(31-57(51)67(102)110)74(78(88,89)90,79(91,92)93)39-5-27-53-59(33-39)71(114)118-69(53)112)36-2-24-50-56(30-36)66(109)101(62(50)105)42-9-17-46(18-10-42)117-48-21-13-44(14-22-48)103-64(107)52-26-4-38(32-58(52)68(103)111)75(80(94,95)96,81(97,98)99)40-6-28-54-60(34-40)72(115)119-70(54)113/h1-34H.
What are the key properties of 2-[4-[4-[5-[2-(1,3-Dioxo-2-benzofuran-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-5-[2-[2-[4-[4-[5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]isoindole-1,3-dione?
2-[4-[4-[5-[2-(1,3-Dioxo-2-benzofuran-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-5-[2-[2-[4-[4-[5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]isoindole-1,3-dione has a molecular weight of 1661.10 g/mol, XLogP of 17.70, 14 rotatable bonds, 0 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[5-[2-(1,3-Dioxo-2-benzofuran-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-5-[2-[2-[4-[4-[5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]isoindole-1,3-dione is sourced from PubChem (CID 156126204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).