CAS 199121-98-7 N,N'-Bis[4-di(m-tolyl)aminophenyl]-N,N'-diphenylbenzidine

NAVIGATION

N,N'-Bis[4-di(m-tolyl)aminophenyl]-N,N'-diphenylbenzidine

PRICE INQUIRY

Catalog Number

ACM199121987-4

CAS Number

199121-98-7

Product Name

N,N'-Bis[4-di(m-tolyl)aminophenyl]-N,N'-diphenylbenzidine

Category

Organic Light-Emitting Diode (OLED) Materials

Synonyms

DNTPD

IUPAC Name

1-N-[4-[4-(N-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-4-N,4-N-bis(3-methylphenyl)-1-N-phenylbenzene-1,4-diamine

Molecular Weight

879.16

Molecular Formula

C64H54N4

Canonical SMILES

CC1=CC(=CC=C1)N(C2=CC=C(C=C2)N(C3=CC=CC=C3)C4=CC=C(C=C4)C5=CC=C(C=C5)N(C6=CC=CC=C6)C7=CC=C(C=C7)N(C8=CC=CC(=C8)C)C9=CC=CC(=C9)C)C1=CC=CC(=C1)C

InChI

InChI=1S/C64H54N4/c1-47-15-11-23-61(43-47)67(62-24-12-16-48(2)44-62)59-39-35-57(36-40-59)65(53-19-7-5-8-20-53)55-31-27-51(28-32-55)52-29-33-56(34-30-52)66(54-21-9-6-10-22-54)58-37-41-60(42-38-58)68(63-25-13-17-49(3)45-63)64-26-14-18-50(4)46-64/h5-46H,1-4H3

InChI Key

SPDPTFAJSFKAMT-UHFFFAOYSA-N

Melting Point

196 °C

Purity

>98.0%(HPLC)

Appearance

White to Orange to Green powder to crystal

Application

N,N'-Bis[4-di(m-tolyl)aminophenyl]-N,N'-diphenylbenzidine is designed to enhance the performance of organic light emitting diodes (OLEDs) by serving as an electron-rich material for hole transport or injection layers. The compound can be effectively coated on indium tin oxide (ITO) to form an optimized electron transporting layer, crucial for achieving high efficiency in OLED fabrication. With its four triarylamine units, it extends the structure of commonly used materials like TPD and NPB, making it valuable for OLED and perovskite solar cell applications in organic electronics.

Storage

Store under inert gas

Complexity

1290

Covalently-Bonded Unit Count

Exact Mass

878.434848g/mol

Formal Charge

Hazard Statements

H301 + H311 + H331 : Toxic if swallowed, in contact with skin or if inhaled.H315 : Causes skin irritation.H319 : Causes serious eye irritation.

Heavy Atom Count

MDL Number

MFCD22372686

Monoisotopic Mass

878.434848g/mol

Precautionary Statements

P501 : Dispose of contents/ container to an approved waste disposal plant.P261 : Avoid breathing dust/ fume/ gas/ mist/ vapors/ spray.P270 : Do not eat, drink or smoke when using this product.P271 : Use only outdoors or in a well-ventilated area.P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ protective clothing/ 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.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.P301 + P310 + P330 : IF SWALLOWED: Immediately call a POISON CENTER/doctor. Rinse mouth.P302 + P352 + P312 : IF ON SKIN: Wash with plenty of water.Call a POISON CENTER/doctor if you feel unwell.P304 + P340 + P311 : IF INHALED: Remove person to fresh air and keep comfortable for breathing. Call a POISON CENTER/doctor.P403 + P233 : Store in a well-ventilated place. Keep container tightly closed.P405 : Store locked up.

Rotatable Bond Count

Signal Word

Danger

XLogP3

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