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>26</sub>H<sub>23</sub>NO<sub>4</sub>

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Figure 1

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₂₆H₂₃NO₄
Molecular Weight	413.47 g/mol
Exact Mass	413.1627 Da
InChI	InChI=1S/C26H23NO4/c1-26(2,3)14-10-19-23-20(11-14)25(29)18-13-16(31-5)7-9-22(18)27(23)21-8-6-15(30-4)12-17(21)24(19)28/h6-13H,1-5H3
InChIKey	SEEDAQDZHZZOSN-UHFFFAOYSA-N
SMILES	CC(C)(C)C1=CC2=C3C(=C1)C(=O)C4=CC(=CC=C4N3C5=CC=C(C=C5C2=O)OC)OC
Number of Atoms	54
Number of H-Bond Acceptors	5
Number of H-Bond Donors	0
Atoms in the Largest π-System	25
XLogP	4.0

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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)