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

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Chemical structure C<sub>23</sub>H<sub>21</sub>NO<sub>5</sub>

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Extracted from

Scheme 1

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₂₃H₂₁NO₅
Molecular Weight	391.42 g/mol
Exact Mass	391.1420 Da
InChI	InChI=1S/C23H21NO5/c1-27-18-14-12-17(13-15-18)24(16-8-5-4-6-9-16)21-19(22(25)28-2)10-7-11-20(21)23(26)29-3/h4-15H,1-3H3
InChIKey	OOYMLVFBOLTYFM-UHFFFAOYSA-N
SMILES	COC1=CC=C(C=C1)N(C2=CC=CC=C2)C3=C(C=CC=C3C(=O)OC)C(=O)OC
Number of Atoms	50
Number of H-Bond Acceptors	6
Number of H-Bond Donors	0
Atoms in the Largest π-System	26
XLogP	3.1

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Operator	Resulting query
aromatic	the word “aromatic”
aromatic aldehyde	the word “aromatic” OR “aldehyde”
+aromatic +aldehyde	both words “aromatic” AND “aldehyde”
+aromatic -aldehyde	the word “aromatic” but NOT “aldehyde”
“aromatic aldehyde”	the exact phrase “aromatic aldehyde”
benz*	words which begin with “benz”, such as “benzene” or “benzyl”
benz*yl	words that begin with “benz” and end with “yl”, such as “benzyl” or “benzoyl”
benzyl~	words that are close to the word “benzyl”, such as “benzoyl” (i.e., fuzzy search)