CAS 139092-78-7 4,4',4''-Tri-9-carbazolyltriphenylamine

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4,4',4''-Tri-9-carbazolyltriphenylamine

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Catalog Number

ACM139092787-2

CAS Number

139092-78-7

Product Name

4,4',4''-Tri-9-carbazolyltriphenylamine

Structure

Category

Electroluminescence Materials; Organic Light-Emitting Diode (OLED) Materials

Synonyms

Tris(4-carbazol-9-ylphenyl)amine (purified by sublimation)
TCTA (purified by sublimation)

IUPAC Name

4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline

Molecular Weight

740.91

Molecular Formula

C54H36N4

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

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).

Storage

Store under inert gas

Complexity

1130

Covalently-Bonded Unit Count

Exact Mass

740.293997g/mol

Formal Charge

Hazard Statements

H315 : Causes skin irritation.H319 : Causes serious eye irritation.

Heavy Atom Count

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.

Rotatable Bond Count

Signal Word

Warning

XLogP3

14.4

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