4,4',4''-Tri-9-carbazolyltriphenylamine
Catalog Number
ACM139092787-2
CAS
139092-78-7
IUPAC Name
4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline
Synonyms
Tris(4-carbazol-9-ylphenyl)amine (purified by sublimation)
TCTA (purified by sublimation)
TCTA (purified by sublimation)
Application
4,4',4''-Tri-9-carbazolyltriphenylamine is designed as a versatile material for use in organic electroluminescent devices. Its structure, featuring three carbazole units linked to a triarylamine core, makes it particularly electron-rich, enabling efficient hole transport and injection in devices such as light-emitting diodes and perovskite solar cells. Its high LUMO energy level and low electron mobility allow it to effectively function as an exciton and electron blocking layer. Additionally, due to its substantial band gap, the material serves as an ideal phosphorescent host, catering to green, red, and white phosphorescent organic light-emitting diodes (PhOLEDs).
Molecular Weight
740.91
Molecular Formula
C54H36N4
Product Information
Canonical SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3N2C4=CC=C(C=C4)N(C5=CC=C(C=C5)N6C7=CC=CC=C7C8=CC=CC=C86)C9=CC=C(C=C9)N1C2=CC=CC=C2C2=CC=CC=C21
InChI
InChI=1S/C54H36N4/c1-7-19-49-43(13-1)44-14-2-8-20-50(44)56(49)40-31-25-37(26-32-40)55(38-27-33-41(34-28-38)57-51-21-9-3-15-45(51)46-16-4-10-22-52(46)57)39-29-35-42(36-30-39)58-53-23-11-5-17-47(53)48-18-6-12-24-54(48)58/h1-36H
InChI Key
AWXGSYPUMWKTBR-UHFFFAOYSA-N
Melting Point
266 °C
Purity
>99.0%(HPLC)(N)
Appearance
White to Orange to Green powder to crystal
Storage
Store under inert gas
Complexity
1130
Exact Mass
740.293997g/mol
Hazard Statements
H315 : Causes skin irritation.H319 : Causes serious eye irritation.
Heavy Atom Count
58
MDL Number
MFCD03093250
Monoisotopic Mass
740.293997g/mol
Precautionary Statements
P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ eye protection/ face protection.P337 + P313 : If eye irritation persists: Get medical advice/ attention.P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.P302 + P352 : IF ON SKIN: Wash with plenty of soap and water.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.
Reaxys Registry Number
8302546
Rotatable Bond Count
6
Signal Word
Warning
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