2-[4-[4-(2,5-dioxopyrrolidin-1-yl)phenoxy]phenyl]-5-[2-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]isoindole-1,3-dione

C51H28F6N4O10 — CID 59861021

IUPAC2-[4-[4-(2,5-dioxopyrrolidin-1-yl)phenoxy]phenyl]-5-[2-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]isoindole-1,3-dione
SMILESO=C1C=CC(=O)N1c1ccc(Oc2ccc(N3C(=O)c4ccc(C(c5ccc6c(c5)C(=O)N(c5ccc(Oc7ccc(N8C(=O)CCC8=O)cc7)cc5)C6=O)(C(F)(F)F)C(F)(F)F)cc4C3=O)cc2)cc1
InChIInChI=1S/C51H28F6N4O10/c52-50(53,54)49(51(55,56)57,27-1-19-37-39(25-27)47(68)60(45(37)66)31-7-15-35(16-8-31)70-33-11-3-29(4-12-33)58-41(62)21-22-42(58)63)28-2-20-38-40(26-28)48(69)61(46(38)67)32-9-17-36(18-10-32)71-34-13-5-30(6-14-34)59-43(64)23-24-44(59)65/h1-22,25-26H,23-24H2
InChIKeyVLQWBAQGEJORND-UHFFFAOYSA-N
MW970.79 g/mol
LogP9.37
Rot. Bonds10

About 2-[4-[4-(2,5-dioxopyrrolidin-1-yl)phenoxy]phenyl]-5-[2-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]isoindole-1,3-dione

2-[4-[4-(2,5-dioxopyrrolidin-1-yl)phenoxy]phenyl]-5-[2-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]isoindole-1,3-dione (PubChem CID 59861021) has the molecular formula C51H28F6N4O10 and a molecular weight of 970.79 g/mol. Its IUPAC name is 2-[4-[4-(2,5-dioxopyrrolidin-1-yl)phenoxy]phenyl]-5-[2-[2-[4-[4-(2,5-dioxopyrrol-1-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-(2,5-dioxopyrrolidin-1-yl)phenoxy]phenyl]-5-[2-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]isoindole-1,3-dione
PubChem CID59861021
Molecular FormulaC51H28F6N4O10
Molecular Weight970.79 g/mol
Exact Mass970.17
IUPAC Name2-[4-[4-(2,5-dioxopyrrolidin-1-yl)phenoxy]phenyl]-5-[2-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]isoindole-1,3-dione
SMILESO=C1C=CC(=O)N1c1ccc(Oc2ccc(N3C(=O)c4ccc(C(c5ccc6c(c5)C(=O)N(c5ccc(Oc7ccc(N8C(=O)CCC8=O)cc7)cc5)C6=O)(C(F)(F)F)C(F)(F)F)cc4C3=O)cc2)cc1
InChIInChI=1S/C51H28F6N4O10/c52-50(53,54)49(51(55,56)57,27-1-19-37-39(25-27)47(68)60(45(37)66)31-7-15-35(16-8-31)70-33-11-3-29(4-12-33)58-41(62)21-22-42(58)63)28-2-20-38-40(26-28)48(69)61(46(38)67)32-9-17-36(18-10-32)71-34-13-5-30(6-14-34)59-43(64)23-24-44(59)65/h1-22,25-26H,23-24H2
InChIKeyVLQWBAQGEJORND-UHFFFAOYSA-N
XLogP9.37
TPSA167.98 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500970.79
LogP ≤ 59.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(2,5-dioxopyrrolidin-1-yl)phenoxy]phenyl]-5-[2-[2-[4-[4-(2,5-dioxopyrrol-1-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-(2,5-dioxopyrrolidin-1-yl)phenoxy]phenyl]-5-[2-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]isoindole-1,3-dione (CID 59861021) is 2-[4-[4-(2,5-dioxopyrrolidin-1-yl)phenoxy]phenyl]-5-[2-[2-[4-[4-(2,5-dioxopyrrol-1-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-(2,5-dioxopyrrolidin-1-yl)phenoxy]phenyl]-5-[2-[2-[4-[4-(2,5-dioxopyrrol-1-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-(2,5-dioxopyrrolidin-1-yl)phenoxy]phenyl]-5-[2-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]isoindole-1,3-dione is O=C1C=CC(=O)N1c1ccc(Oc2ccc(N3C(=O)c4ccc(C(c5ccc6c(c5)C(=O)N(c5ccc(Oc7ccc(N8C(=O)CCC8=O)cc7)cc5)C6=O)(C(F)(F)F)C(F)(F)F)cc4C3=O)cc2)cc1.
What is the InChIKey of 2-[4-[4-(2,5-dioxopyrrolidin-1-yl)phenoxy]phenyl]-5-[2-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]isoindole-1,3-dione?
The InChIKey is VLQWBAQGEJORND-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H28F6N4O10/c52-50(53,54)49(51(55,56)57,27-1-19-37-39(25-27)47(68)60(45(37)66)31-7-15-35(16-8-31)70-33-11-3-29(4-12-33)58-41(62)21-22-42(58)63)28-2-20-38-40(26-28)48(69)61(46(38)67)32-9-17-36(18-10-32)71-34-13-5-30(6-14-34)59-43(64)23-24-44(59)65/h1-22,25-26H,23-24H2.
What are the key properties of 2-[4-[4-(2,5-dioxopyrrolidin-1-yl)phenoxy]phenyl]-5-[2-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]isoindole-1,3-dione?
2-[4-[4-(2,5-dioxopyrrolidin-1-yl)phenoxy]phenyl]-5-[2-[2-[4-[4-(2,5-dioxopyrrol-1-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 970.79 g/mol, XLogP of 9.37, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(2,5-dioxopyrrolidin-1-yl)phenoxy]phenyl]-5-[2-[2-[4-[4-(2,5-dioxopyrrol-1-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 59861021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).