CAS Number 1469705-37-0
4CzIPN-Ph (CAS number 1469705-37-0), also known as 2,4,5,6-tetrakis(3,6-diphenylcarbazol-9-yl)-1,3-dicyanobenzene, has the structure origin of 4CzIPN with 8 phenyl substituents at 3,6-positions of carbazolyl moieties. Due to the steric conformational effects, the phenyl rings are relatively decoupled from the core of the molecule in 4CzIPN-Ph.
Wavefunctions suggests a partial delocalization of the hole electronic density into the outer phenyl rings, thus enhancing its charge transfer character with reduces ΔEST. Devices using single DMAC-DPS: 4CzTPN-Ph emission layer achieved a maximum external quantum efficiency of 13.4%, maximum power efficiency of 38.3 lm W-1 and current-insensitive Commission Internationale de I'Eclairage (CIE) coordinates of (0.29, 0.39).
4CzIPN-Ph, 4CzPN-Ph and 4CzTPN-Ph are isomers with two nitrile (CN) groups sitting at meta-, ortho- and para- positions of the benzene ring respectively.
| CAS Number | 1469705-37-0 |
| Full Name | 2,4,5,6-Tetrakis(3,6-diphenylcarbazol-9-yl)-1,3-dicyanobenzene |
| Synonyms | 2,4,5,6-Tetrakis(3,6-diphenyl-9H-carbazol-9-yl)-1,3-benzenedicarbonitrile, 2,4,5,6-Tetrakis(3,6-diphenyl-9H-carbazol-9-yl)isophthalonitrile |
| Chemical Formula | C104H64N6 |
| Molecular Weight | 1397.66 g/mol |
| Absorption* | λmax 406 nm in film |
| Photoluminescence | λem 598 nm in film |
| HOMO/LUMO | HOMO = 5.48 eV, LUMO = 2.66 eV [1] |
| Classification / Family | Carbazole derivatives, Isophthalonitrile TADF materials, Orange dopant materials, Sublimed materials |
Chemical Structure of 2,4,5,6-Tetra(3,6-diphenylcarbazol-9-yl)-1,3-dicyanobenzene (4CzIPN-Ph), CAS 1469705-37-0
| Purity | Unsublimed >98.0% (1H NMR) |
| Melting Point | N/A |
| Appearance | Orange powder/crystals |
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