2,5-Furandione, 3,4-di-1H-indol-3-yl-

Substructure search Find similar structures

Basic information

CAS: 115684-57-6
Standard SMILES: O=C1OC(=O)C(c2c[nH]c3ccccc23)=C1c1c[nH]c2ccccc12
InChIKey: BEDSOEWYLAPDOL-UHFFFAOYSA-N
Molecular formula: C20H12N2O3
Average molar mass: 328.3 g/mol
Monoisotopic mass: 328.08479225

Overview

Pityrianhydride is a member of indoles.

Names & identifiers

Preferred name: 2,5-Furandione, 3,4-di-1H-indol-3-yl-
IUPAC: 3,4-bis(1H-indol-3-yl)furan-2,5-dione

Names & synonyms

Pityrianhydride2,5-Furandione, 3,4-di-1H-indol-3-yl-115684-57-6Bisindolylmaleimide deriv. 103,4-bis(1H-indol-3-yl)furan-2,5-dioneBisindolyl deriv. 5BDBM2588CHEMBL294450SCHEMBL7197287DTXSID00416127BEDSOEWYLAPDOL-UHFFFAOYSA-NCHEBI:214042

Show more names

HMS3401P06NSC767277NSC-767277SDCCGRCH-0000222.P0012,3-bis(1H-indol-3-yl)maleic anhydride3,4-bis(1H-indol-3-yl)uran-2,5-dione3,4-Di(1H-indol-3-yl)furan-2,5-dioneRO0320344-000

Database identifiers

CAS: 115684-57-6
PubChem CID: 5327652
DTXSID: DTXSID00416127
ChEMBL: CHEMBL294450
ChEBI: CHEBI:214042
Nikkaji: J442.998B

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 75 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 25
Formal charge: 0
Complexity: 576

Related reactions

3 records

New reaction record

HRID 317739As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 1357106As reactantuspto-grants-2003_07

HRID 1357108As reactantuspto-grants-2003_07

Compound notes

Loading…