2,6-dibenzylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone

C24H16N2O4 — CID 633879

IUPAC2,6-dibenzylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
SMILESO=c1c2cc3c(=O)n(Cc4ccccc4)c(=O)c3cc2c(=O)n1Cc1ccccc1
InChIInChI=1S/C24H16N2O4/c27-21-17-11-19-20(24(30)26(23(19)29)14-16-9-5-2-6-10-16)12-18(17)22(28)25(21)13-15-7-3-1-4-8-15/h1-12H,13-14H2
InChIKeyDIZGXQYAIZNBNJ-UHFFFAOYSA-N
MW396.40 g/mol
LogP2.01
Rot. Bonds4

About 2,6-dibenzylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone

2,6-dibenzylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone (PubChem CID 633879) has the molecular formula C24H16N2O4 and a molecular weight of 396.40 g/mol. Its IUPAC name is 2,6-dibenzylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone.

Molecular Properties

Compound Name2,6-dibenzylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
PubChem CID633879
Molecular FormulaC24H16N2O4
Molecular Weight396.40 g/mol
Exact Mass396.11
IUPAC Name2,6-dibenzylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
SMILESO=c1c2cc3c(=O)n(Cc4ccccc4)c(=O)c3cc2c(=O)n1Cc1ccccc1
InChIInChI=1S/C24H16N2O4/c27-21-17-11-19-20(24(30)26(23(19)29)14-16-9-5-2-6-10-16)12-18(17)22(28)25(21)13-15-7-3-1-4-8-15/h1-12H,13-14H2
InChIKeyDIZGXQYAIZNBNJ-UHFFFAOYSA-N
XLogP2.01
TPSA78.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.40
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2,6-dibenzylpyrrolo[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

Related Compounds

(6-benzyl-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)methyl nitrate
CID 167070761
5-benzyl-8-chlorophenanthridin-6-one
CID 71506154
5-benzyl-2,9-dimethylphenanthridin-6-one
CID 86257513
2-benzyl-5-chloro-3-methylisoquinolin-1-one
CID 170901947
1,3-dibenzylphenanthro[9,10-d]imidazol-2-one
CID 11509882
3-benzyl-7-methyl-1H-quinazoline-2,4-dione
CID 117261590
1,3-dibenzyl-6-methylthieno[2,3-d]pyrimidine-2,4-dione
CID 39334592
1-benzyl-3,5-bis(hydroxymethyl)-1,3,5-triazinane-2,4,6-trione
CID 15495786
5-benzyl-10-methylphenanthridin-6-one
CID 71505961
3-benzyl-7-bromo-2-sulfanylidene-1H-quinazolin-4-one
CID 177325632
5,7-dibenzylindolo[2,3-b]carbazole-6,12-dione
CID 101168915
2-benzyl-4-iodo-6,7-dimethoxy-3-trimethylsilylisoquinolin-1-one
CID 11225645

Frequently Asked Questions

What is the IUPAC name of 2,6-dibenzylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The IUPAC name of 2,6-dibenzylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone (CID 633879) is 2,6-dibenzylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone.
What is the SMILES notation for 2,6-dibenzylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The canonical SMILES for 2,6-dibenzylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone is O=c1c2cc3c(=O)n(Cc4ccccc4)c(=O)c3cc2c(=O)n1Cc1ccccc1.
What is the InChIKey of 2,6-dibenzylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The InChIKey is DIZGXQYAIZNBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N2O4/c27-21-17-11-19-20(24(30)26(23(19)29)14-16-9-5-2-6-10-16)12-18(17)22(28)25(21)13-15-7-3-1-4-8-15/h1-12H,13-14H2.
What are the key properties of 2,6-dibenzylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
2,6-dibenzylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone has a molecular weight of 396.40 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibenzylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone is sourced from PubChem (CID 633879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).