1-[3-[(E)-3-[4-[(E)-3-[3-(2,5-dioxopyrrol-1-yl)phenyl]-3-oxoprop-1-enyl]phenyl]prop-2-enoyl]phenyl]pyrrole-2,5-dione
Basic information
- CAS
5186-40-3- Standard SMILES
O=C(/C=C/c1ccc(/C=C/C(=O)c2cccc(N3C(=O)C=CC3=O)c2)cc1)c1cccc(N2C(=O)C=CC2=O)c1- InChIKey
IHEVQYWWBHPSBB-PHEQNACWSA-N- Molecular formula
- C32H20N2O6
- Average molar mass
- 528.5 g/mol
- Monoisotopic mass
- 528.13213636
Names & identifiers
- Preferred name
- 1-[3-[(E)-3-[4-[(E)-3-[3-(2,5-dioxopyrrol-1-yl)phenyl]-3-oxoprop-1-enyl]phenyl]prop-2-enoyl]phenyl]pyrrole-2,5-dione
- IUPAC
- 1-[3-[(E)-3-[4-[(E)-3-[3-(2,5-dioxopyrrol-1-yl)phenyl]-3-oxoprop-1-enyl]phenyl]prop-2-enoyl]phenyl]pyrrole-2,5-dione
Names & synonyms
STK0615335186-40-31-[3-[(E)-3-[4-[(E)-3-[3-(2,5-dioxopyrrol-1-yl)phenyl]-3-oxoprop-1-enyl]phenyl]prop-2-enoyl]phenyl]pyrrole-2,5-dioneSCHEMBL20576360DTXSID10416719SMSF0004266AKOS000640340CB04440BIM-0013309.P001ST502178131,1'-(1,4-Phenylenebis{[(1E)-3-oxoprop-1-ene-1,3-diyl]-3,1-phenylene})di(1H-pyrrole-2,5-dione)1,1'-(benzene-1,4-diylbis{[(1E)-3-oxoprop-1-ene-1,3-diyl]benzene-3,1-diyl})bis(1H-pyrrole-2,5-dione)
Show more names
1,1'-{1,4-phenylenebis[(3-oxo-1-propene-1,3-diyl)-3,1-phenylene]}bis(1H-pyrrole-2,5-dione)1-{3-[(2E)-3-(4-{(1E)-3-[3-(2,5-dioxoazolinyl)phenyl]-3-oxoprop-1-enyl}phenyl) prop-2-enoyl]phenyl}azoline-2,5-dione
Database identifiers
- CAS
5186-40-3- PubChem CID
- 5337772
- DTXSID
DTXSID10416719
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 1,060
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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