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 | C76H93N3O2 |
| Molecular Weight | 1080.57 g/mol |
| Exact Mass | 1079.7268 Da |
| InChI |
InChI=1S/C76H93N3O2/c1-69(2,3)46-32-47(70(4,5)6)37-56(36-46)77(57-38-48(71(7,8)9)33-49(39-57)72(10,11)12)54-28-30-64-62(44-54)67(80)60-26-25-27-61-66(60)79(64)65-31-29-55(45-63(65)68(61)81)78(58-40-50(73(13,14)15)34-51(41-58)74(16,17)18)59-42-52(75(19,20)21)35-53(43-59)76(22,23)24/h25-45H,1-24H3
|
| InChIKey |
ZPADNORRSOATKB-UHFFFAOYSA-N
|
| SMILES |
CC(C)(C)C1=CC(=CC(=C1)C(C)(C)C)N(C2=CC=C3C(=C2)C(=O)C4=CC=CC5=C4N3C6=CC=C(C=C6C5=O)N(C7=CC(=CC(=C7)C(C)(C)C)C(C)(C)C)C8=CC(=CC(=C8)C(C)(C)C)C(C)(C)C)C9=CC(=CC(=C9)C(C)(C)C)C(C)(C)C
|
| Number of Atoms | 174 |
| Number of H-Bond Acceptors | 5 |
| Number of H-Bond Donors | 0 |
| Atoms in the Largest π-System | 49 |
| XLogP | 20.6 |
