2,3-Dioxoisoindolin-2-yl)-1,1'-bianthracene-9,9',10,10'-tetraone
Basic information
- CAS
32495-71-9- Standard SMILES
O=C1c2ccccc2C(=O)c2c1ccc(C1C(=O)c3ccccc3C1=O)c2-c1c(C2C(=O)c3ccccc3C2=O)ccc2c1C(=O)c1ccccc1C2=O- InChIKey
QQVJNTOBOBFOPW-UHFFFAOYSA-N- Molecular formula
- C46H22O8
- Average molar mass
- 702.7 g/mol
- Monoisotopic mass
- 702.13146766
Names & identifiers
- Preferred name
- 2,3-Dioxoisoindolin-2-yl)-1,1'-bianthracene-9,9',10,10'-tetraone
- IUPAC
- 2-(1,3-dioxoinden-2-yl)-1-[2-(1,3-dioxoinden-2-yl)-9,10-dioxoanthracen-1-yl]anthracene-9,10-dione
Names & synonyms
CHEMBL19763022,3-dioxoisoindolin-2-yl)-1,1'-bianthracene-9,9',10,10'-tetraone
Database identifiers
- CAS
32495-71-9- PubChem CID
- 54598421
- ChEMBL
CHEMBL1976302
Properties
Computed structural properties
- XLogP
- 7.7
- Topological polar surface area
- 137 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 54
- Formal charge
- 0
- Complexity
- 1,520
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…