2,6-bis(2-hydroxy-5-methylphenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone

C24H16N2O6 — CID 1366088

IUPAC2,6-bis(2-hydroxy-5-methylphenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
SMILESCc1ccc(O)c(-n2c(=O)c3cc4c(=O)n(-c5cc(C)ccc5O)c(=O)c4cc3c2=O)c1
InChIInChI=1S/C24H16N2O6/c1-11-3-5-19(27)17(7-11)25-21(29)13-9-15-16(10-14(13)22(25)30)24(32)26(23(15)31)18-8-12(2)4-6-20(18)28/h3-10,27-28H,1-2H3
InChIKeyWAZUBLWGJREPSM-UHFFFAOYSA-N
MW428.40 g/mol
LogP1.92
Rot. Bonds2

About 2,6-bis(2-hydroxy-5-methylphenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone

2,6-bis(2-hydroxy-5-methylphenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone (PubChem CID 1366088) has the molecular formula C24H16N2O6 and a molecular weight of 428.40 g/mol. Its IUPAC name is 2,6-bis(2-hydroxy-5-methylphenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone.

Molecular Properties

Compound Name2,6-bis(2-hydroxy-5-methylphenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
PubChem CID1366088
Molecular FormulaC24H16N2O6
Molecular Weight428.40 g/mol
Exact Mass428.10
IUPAC Name2,6-bis(2-hydroxy-5-methylphenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
SMILESCc1ccc(O)c(-n2c(=O)c3cc4c(=O)n(-c5cc(C)ccc5O)c(=O)c4cc3c2=O)c1
InChIInChI=1S/C24H16N2O6/c1-11-3-5-19(27)17(7-11)25-21(29)13-9-15-16(10-14(13)22(25)30)24(32)26(23(15)31)18-8-12(2)4-6-20(18)28/h3-10,27-28H,1-2H3
InChIKeyWAZUBLWGJREPSM-UHFFFAOYSA-N
XLogP1.92
TPSA118.60 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.40
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2,6-bis(2-hydroxy-5-methylphenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone 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 2,6-bis(2-hydroxy-5-methylphenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The IUPAC name of 2,6-bis(2-hydroxy-5-methylphenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone (CID 1366088) is 2,6-bis(2-hydroxy-5-methylphenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone.
What is the SMILES notation for 2,6-bis(2-hydroxy-5-methylphenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The canonical SMILES for 2,6-bis(2-hydroxy-5-methylphenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone is Cc1ccc(O)c(-n2c(=O)c3cc4c(=O)n(-c5cc(C)ccc5O)c(=O)c4cc3c2=O)c1.
What is the InChIKey of 2,6-bis(2-hydroxy-5-methylphenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The InChIKey is WAZUBLWGJREPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N2O6/c1-11-3-5-19(27)17(7-11)25-21(29)13-9-15-16(10-14(13)22(25)30)24(32)26(23(15)31)18-8-12(2)4-6-20(18)28/h3-10,27-28H,1-2H3.
What are the key properties of 2,6-bis(2-hydroxy-5-methylphenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
2,6-bis(2-hydroxy-5-methylphenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone has a molecular weight of 428.40 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(2-hydroxy-5-methylphenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone is sourced from PubChem (CID 1366088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).