2-(2-ethoxyphenyl)-5-[2-(2-ethoxyphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione

C33H24N2O7 — CID 1366229

IUPAC2-(2-ethoxyphenyl)-5-[2-(2-ethoxyphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione
SMILESCCOc1ccccc1N1C(=O)c2ccc(C(=O)c3ccc4c(c3)C(=O)N(c3ccccc3OCC)C4=O)cc2C1=O
InChIInChI=1S/C33H24N2O7/c1-3-41-27-11-7-5-9-25(27)34-30(37)21-15-13-19(17-23(21)32(34)39)29(36)20-14-16-22-24(18-20)33(40)35(31(22)38)26-10-6-8-12-28(26)42-4-2/h5-18H,3-4H2,1-2H3
InChIKeyLIKYTINWLODOQX-UHFFFAOYSA-N
MW560.56 g/mol
LogP5.32
Rot. Bonds8

About 2-(2-ethoxyphenyl)-5-[2-(2-ethoxyphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione

2-(2-ethoxyphenyl)-5-[2-(2-ethoxyphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione (PubChem CID 1366229) has the molecular formula C33H24N2O7 and a molecular weight of 560.56 g/mol. Its IUPAC name is 2-(2-ethoxyphenyl)-5-[2-(2-ethoxyphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2-ethoxyphenyl)-5-[2-(2-ethoxyphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione
PubChem CID1366229
Molecular FormulaC33H24N2O7
Molecular Weight560.56 g/mol
Exact Mass560.16
IUPAC Name2-(2-ethoxyphenyl)-5-[2-(2-ethoxyphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione
SMILESCCOc1ccccc1N1C(=O)c2ccc(C(=O)c3ccc4c(c3)C(=O)N(c3ccccc3OCC)C4=O)cc2C1=O
InChIInChI=1S/C33H24N2O7/c1-3-41-27-11-7-5-9-25(27)34-30(37)21-15-13-19(17-23(21)32(34)39)29(36)20-14-16-22-24(18-20)33(40)35(31(22)38)26-10-6-8-12-28(26)42-4-2/h5-18H,3-4H2,1-2H3
InChIKeyLIKYTINWLODOQX-UHFFFAOYSA-N
XLogP5.32
TPSA110.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.56
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyphenyl)-5-[2-(2-ethoxyphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione?
The IUPAC name of 2-(2-ethoxyphenyl)-5-[2-(2-ethoxyphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione (CID 1366229) is 2-(2-ethoxyphenyl)-5-[2-(2-ethoxyphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione.
What is the SMILES notation for 2-(2-ethoxyphenyl)-5-[2-(2-ethoxyphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione?
The canonical SMILES for 2-(2-ethoxyphenyl)-5-[2-(2-ethoxyphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione is CCOc1ccccc1N1C(=O)c2ccc(C(=O)c3ccc4c(c3)C(=O)N(c3ccccc3OCC)C4=O)cc2C1=O.
What is the InChIKey of 2-(2-ethoxyphenyl)-5-[2-(2-ethoxyphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione?
The InChIKey is LIKYTINWLODOQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H24N2O7/c1-3-41-27-11-7-5-9-25(27)34-30(37)21-15-13-19(17-23(21)32(34)39)29(36)20-14-16-22-24(18-20)33(40)35(31(22)38)26-10-6-8-12-28(26)42-4-2/h5-18H,3-4H2,1-2H3.
What are the key properties of 2-(2-ethoxyphenyl)-5-[2-(2-ethoxyphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione?
2-(2-ethoxyphenyl)-5-[2-(2-ethoxyphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione has a molecular weight of 560.56 g/mol, XLogP of 5.32, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyphenyl)-5-[2-(2-ethoxyphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione is sourced from PubChem (CID 1366229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).