2-(anthracen-9-ylmethylideneamino)isoindole-1,3-dione

C23H14N2O2 — CID 2305885

IUPAC2-(anthracen-9-ylmethylideneamino)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1N=Cc1c2ccccc2cc2ccccc12
InChIInChI=1S/C23H14N2O2/c26-22-19-11-5-6-12-20(19)23(27)25(22)24-14-21-17-9-3-1-7-15(17)13-16-8-2-4-10-18(16)21/h1-14H
InChIKeyRTWWEQAKLLFRRJ-UHFFFAOYSA-N
MW350.38 g/mol
LogP4.62
Rot. Bonds2

About 2-(anthracen-9-ylmethylideneamino)isoindole-1,3-dione

2-(anthracen-9-ylmethylideneamino)isoindole-1,3-dione (PubChem CID 2305885) has the molecular formula C23H14N2O2 and a molecular weight of 350.38 g/mol. Its IUPAC name is 2-(anthracen-9-ylmethylideneamino)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(anthracen-9-ylmethylideneamino)isoindole-1,3-dione
PubChem CID2305885
Molecular FormulaC23H14N2O2
Molecular Weight350.38 g/mol
Exact Mass350.11
IUPAC Name2-(anthracen-9-ylmethylideneamino)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1N=Cc1c2ccccc2cc2ccccc12
InChIInChI=1S/C23H14N2O2/c26-22-19-11-5-6-12-20(19)23(27)25(22)24-14-21-17-9-3-1-7-15(17)13-16-8-2-4-10-18(16)21/h1-14H
InChIKeyRTWWEQAKLLFRRJ-UHFFFAOYSA-N
XLogP4.62
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 2-(anthracen-9-ylmethylideneamino)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-(anthracen-9-ylmethylideneamino)isoindole-1,3-dione?
The IUPAC name of 2-(anthracen-9-ylmethylideneamino)isoindole-1,3-dione (CID 2305885) is 2-(anthracen-9-ylmethylideneamino)isoindole-1,3-dione.
What is the SMILES notation for 2-(anthracen-9-ylmethylideneamino)isoindole-1,3-dione?
The canonical SMILES for 2-(anthracen-9-ylmethylideneamino)isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1N=Cc1c2ccccc2cc2ccccc12.
What is the InChIKey of 2-(anthracen-9-ylmethylideneamino)isoindole-1,3-dione?
The InChIKey is RTWWEQAKLLFRRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14N2O2/c26-22-19-11-5-6-12-20(19)23(27)25(22)24-14-21-17-9-3-1-7-15(17)13-16-8-2-4-10-18(16)21/h1-14H.
What are the key properties of 2-(anthracen-9-ylmethylideneamino)isoindole-1,3-dione?
2-(anthracen-9-ylmethylideneamino)isoindole-1,3-dione has a molecular weight of 350.38 g/mol, XLogP of 4.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(anthracen-9-ylmethylideneamino)isoindole-1,3-dione is sourced from PubChem (CID 2305885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).