5,6-dianilinoisoindole-1,3-dione

C20H15N3O2 — CID 1697

IUPAC5,6-dianilinoisoindole-1,3-dione
SMILESO=C1NC(=O)c2cc(Nc3ccccc3)c(Nc3ccccc3)cc21
InChIInChI=1S/C20H15N3O2/c24-19-15-11-17(21-13-7-3-1-4-8-13)18(12-16(15)20(25)23-19)22-14-9-5-2-6-10-14/h1-12,21-22H,(H,23,24,25)
InChIKeyAAALVYBICLMAMA-UHFFFAOYSA-N
MW329.36 g/mol
LogP4.06
Rot. Bonds4

About 5,6-dianilinoisoindole-1,3-dione

5,6-dianilinoisoindole-1,3-dione (PubChem CID 1697) has the molecular formula C20H15N3O2 and a molecular weight of 329.36 g/mol. Its IUPAC name is 5,6-dianilinoisoindole-1,3-dione.

Molecular Properties

Compound Name5,6-dianilinoisoindole-1,3-dione
PubChem CID1697
Molecular FormulaC20H15N3O2
Molecular Weight329.36 g/mol
Exact Mass329.12
IUPAC Name5,6-dianilinoisoindole-1,3-dione
SMILESO=C1NC(=O)c2cc(Nc3ccccc3)c(Nc3ccccc3)cc21
InChIInChI=1S/C20H15N3O2/c24-19-15-11-17(21-13-7-3-1-4-8-13)18(12-16(15)20(25)23-19)22-14-9-5-2-6-10-14/h1-12,21-22H,(H,23,24,25)
InChIKeyAAALVYBICLMAMA-UHFFFAOYSA-N
XLogP4.06
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5,6-dianilinoisoindole-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 5,6-dianilinoisoindole-1,3-dione?
The IUPAC name of 5,6-dianilinoisoindole-1,3-dione (CID 1697) is 5,6-dianilinoisoindole-1,3-dione.
What is the SMILES notation for 5,6-dianilinoisoindole-1,3-dione?
The canonical SMILES for 5,6-dianilinoisoindole-1,3-dione is O=C1NC(=O)c2cc(Nc3ccccc3)c(Nc3ccccc3)cc21.
What is the InChIKey of 5,6-dianilinoisoindole-1,3-dione?
The InChIKey is AAALVYBICLMAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2/c24-19-15-11-17(21-13-7-3-1-4-8-13)18(12-16(15)20(25)23-19)22-14-9-5-2-6-10-14/h1-12,21-22H,(H,23,24,25).
What are the key properties of 5,6-dianilinoisoindole-1,3-dione?
5,6-dianilinoisoindole-1,3-dione has a molecular weight of 329.36 g/mol, XLogP of 4.06, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dianilinoisoindole-1,3-dione is sourced from PubChem (CID 1697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).