Ionic multiresonant thermally activated delayed fluorescence emitters for light emitting electrochemical cells

Merve Karaman, Abhishek Kumar Gupta, Subeesh Madayanad Suresh, Tomas Matulaitis, Lorenzo Mardegan, Daniel Tordera, Henk J. Bolink, Sen Wu, Stuart Warriner, Ifor D. Samuel and Eli Zysman-Colman
Beilstein J. Org. Chem. 2022, 18, 1311–1321. https://doi.org/10.3762/bjoc.18.136

Chemical Information

Calculated using the Chemistry Development Kit 2.12
Molecular Formula C32H20N2O3
Molecular Weight 480.51 g/mol
Exact Mass 480.1474 Da
InChI
InChI=1S/C32H20N2O3/c35-23-16-13-21(14-17-23)33(20-7-2-1-3-8-20)22-15-18-29-27(19-22)32(37)26-11-6-10-25-30(26)34(29)28-12-5-4-9-24(28)31(25)36/h1-19,35H
InChIKey
JZLGXQBCLYVNNR-UHFFFAOYSA-N
SMILES
C1=CC=C(C=C1)N(C2=CC=C(C=C2)O)C3=CC=C4C(=C3)C(=O)C5=C6C(=CC=C5)C(=O)C7=C(C=CC=C7)N46
Number of Atoms 57
Number of H-Bond Acceptors 5
Number of H-Bond Donors 1
Atoms in the Largest π-System 37
XLogP 4.0
Zoomed SVG