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

C83H46F6N4O10 — CID 129198992

IUPAC4-[1,3-dioxo-2-(2-phenylphenyl)isoindol-5-yl]-2-[4-[4-[2-[4-[4-[4-[1,3-dioxo-2-(2-phenylphenyl)isoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]isoindole-1,3-dione
SMILESO=C1c2cccc(-c3ccc4c(c3)C(=O)N(c3ccccc3-c3ccccc3)C4=O)c2C(=O)N1c1ccc(Oc2ccc(C(c3ccc(Oc4ccc(N5C(=O)c6cccc(-c7ccc8c(c7)C(=O)N(c7ccccc7-c7ccccc7)C8=O)c6C5=O)cc4)cc3)(C(F)(F)F)C(F)(F)F)cc2)cc1
InChIInChI=1S/C83H46F6N4O10/c84-82(85,86)81(83(87,88)89,51-27-35-55(36-28-51)102-57-39-31-53(32-40-57)90-75(96)65-21-11-19-61(71(65)79(90)100)49-25-43-63-67(45-49)77(98)92(73(63)94)69-23-9-7-17-59(69)47-13-3-1-4-14-47)52-29-37-56(38-30-52)103-58-41-33-54(34-42-58)91-76(97)66-22-12-20-62(72(66)80(91)101)50-26-44-64-68(46-50)78(99)93(74(64)95)70-24-10-8-18-60(70)48-15-5-2-6-16-48/h1-46H
InChIKeyRPGQXKAZCXISFS-UHFFFAOYSA-N
MW1373.29 g/mol
LogP18.55
Rot. Bonds14

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

4-[1,3-dioxo-2-(2-phenylphenyl)isoindol-5-yl]-2-[4-[4-[2-[4-[4-[4-[1,3-dioxo-2-(2-phenylphenyl)isoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]isoindole-1,3-dione (PubChem CID 129198992) has the molecular formula C83H46F6N4O10 and a molecular weight of 1373.29 g/mol. Its IUPAC name is 4-[1,3-dioxo-2-(2-phenylphenyl)isoindol-5-yl]-2-[4-[4-[2-[4-[4-[4-[1,3-dioxo-2-(2-phenylphenyl)isoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]isoindole-1,3-dione.

Molecular Properties

Compound Name4-[1,3-dioxo-2-(2-phenylphenyl)isoindol-5-yl]-2-[4-[4-[2-[4-[4-[4-[1,3-dioxo-2-(2-phenylphenyl)isoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]isoindole-1,3-dione
PubChem CID129198992
Molecular FormulaC83H46F6N4O10
Molecular Weight1373.29 g/mol
Exact Mass1372.31
IUPAC Name4-[1,3-dioxo-2-(2-phenylphenyl)isoindol-5-yl]-2-[4-[4-[2-[4-[4-[4-[1,3-dioxo-2-(2-phenylphenyl)isoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]isoindole-1,3-dione
SMILESO=C1c2cccc(-c3ccc4c(c3)C(=O)N(c3ccccc3-c3ccccc3)C4=O)c2C(=O)N1c1ccc(Oc2ccc(C(c3ccc(Oc4ccc(N5C(=O)c6cccc(-c7ccc8c(c7)C(=O)N(c7ccccc7-c7ccccc7)C8=O)c6C5=O)cc4)cc3)(C(F)(F)F)C(F)(F)F)cc2)cc1
InChIInChI=1S/C83H46F6N4O10/c84-82(85,86)81(83(87,88)89,51-27-35-55(36-28-51)102-57-39-31-53(32-40-57)90-75(96)65-21-11-19-61(71(65)79(90)100)49-25-43-63-67(45-49)77(98)92(73(63)94)69-23-9-7-17-59(69)47-13-3-1-4-14-47)52-29-37-56(38-30-52)103-58-41-33-54(34-42-58)91-76(97)66-22-12-20-62(72(66)80(91)101)50-26-44-64-68(46-50)78(99)93(74(64)95)70-24-10-8-18-60(70)48-15-5-2-6-16-48/h1-46H
InChIKeyRPGQXKAZCXISFS-UHFFFAOYSA-N
XLogP18.55
TPSA167.98 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms103
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001373.29
LogP ≤ 518.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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

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Frequently Asked Questions

What is the IUPAC name of 4-[1,3-dioxo-2-(2-phenylphenyl)isoindol-5-yl]-2-[4-[4-[2-[4-[4-[4-[1,3-dioxo-2-(2-phenylphenyl)isoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]isoindole-1,3-dione?
The IUPAC name of 4-[1,3-dioxo-2-(2-phenylphenyl)isoindol-5-yl]-2-[4-[4-[2-[4-[4-[4-[1,3-dioxo-2-(2-phenylphenyl)isoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]isoindole-1,3-dione (CID 129198992) is 4-[1,3-dioxo-2-(2-phenylphenyl)isoindol-5-yl]-2-[4-[4-[2-[4-[4-[4-[1,3-dioxo-2-(2-phenylphenyl)isoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]isoindole-1,3-dione.
What is the SMILES notation for 4-[1,3-dioxo-2-(2-phenylphenyl)isoindol-5-yl]-2-[4-[4-[2-[4-[4-[4-[1,3-dioxo-2-(2-phenylphenyl)isoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]isoindole-1,3-dione?
The canonical SMILES for 4-[1,3-dioxo-2-(2-phenylphenyl)isoindol-5-yl]-2-[4-[4-[2-[4-[4-[4-[1,3-dioxo-2-(2-phenylphenyl)isoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]isoindole-1,3-dione is O=C1c2cccc(-c3ccc4c(c3)C(=O)N(c3ccccc3-c3ccccc3)C4=O)c2C(=O)N1c1ccc(Oc2ccc(C(c3ccc(Oc4ccc(N5C(=O)c6cccc(-c7ccc8c(c7)C(=O)N(c7ccccc7-c7ccccc7)C8=O)c6C5=O)cc4)cc3)(C(F)(F)F)C(F)(F)F)cc2)cc1.
What is the InChIKey of 4-[1,3-dioxo-2-(2-phenylphenyl)isoindol-5-yl]-2-[4-[4-[2-[4-[4-[4-[1,3-dioxo-2-(2-phenylphenyl)isoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]isoindole-1,3-dione?
The InChIKey is RPGQXKAZCXISFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C83H46F6N4O10/c84-82(85,86)81(83(87,88)89,51-27-35-55(36-28-51)102-57-39-31-53(32-40-57)90-75(96)65-21-11-19-61(71(65)79(90)100)49-25-43-63-67(45-49)77(98)92(73(63)94)69-23-9-7-17-59(69)47-13-3-1-4-14-47)52-29-37-56(38-30-52)103-58-41-33-54(34-42-58)91-76(97)66-22-12-20-62(72(66)80(91)101)50-26-44-64-68(46-50)78(99)93(74(64)95)70-24-10-8-18-60(70)48-15-5-2-6-16-48/h1-46H.
What are the key properties of 4-[1,3-dioxo-2-(2-phenylphenyl)isoindol-5-yl]-2-[4-[4-[2-[4-[4-[4-[1,3-dioxo-2-(2-phenylphenyl)isoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]isoindole-1,3-dione?
4-[1,3-dioxo-2-(2-phenylphenyl)isoindol-5-yl]-2-[4-[4-[2-[4-[4-[4-[1,3-dioxo-2-(2-phenylphenyl)isoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]isoindole-1,3-dione has a molecular weight of 1373.29 g/mol, XLogP of 18.55, 14 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1,3-dioxo-2-(2-phenylphenyl)isoindol-5-yl]-2-[4-[4-[2-[4-[4-[4-[1,3-dioxo-2-(2-phenylphenyl)isoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]isoindole-1,3-dione is sourced from PubChem (CID 129198992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).