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N,N,N',N'-Tetrakis(4-biphenylyl)benzidine

Catalog Number
ACM164724350-4
CAS Number
164724-35-0
Product Name
N,N,N',N'-Tetrakis(4-biphenylyl)benzidine
Structure
Category
Organic Light-Emitting Diode (OLED) Materials
IUPAC Name
4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
Molecular Weight
793.03
Molecular Formula
C60H44N2
Canonical SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)N(C3=CC=C(C=C3)C4=CC=CC=C4)C5=CC=C(C=C5)C6=CC=C(C=C6)N(C7=CC=C(C=C7)C8=CC=CC=C8)C9=CC=C(C=C9)C1=CC=CC=C1
InChI
InChI=1S/C60H44N2/c1-5-13-45(14-6-1)49-21-33-55(34-22-49)61(56-35-23-50(24-36-56)46-15-7-2-8-16-46)59-41-29-53(30-42-59)54-31-43-60(44-32-54)62(57-37-25-51(26-38-57)47-17-9-3-10-18-47)58-39-27-52(28-40-58)48-19-11-4-12-20-48/h1-44H
InChI Key
WXAIEIRYBSKHDP-UHFFFAOYSA-N
Melting Point
265 °C
Purity
>98.0%(HPLC)
Appearance
White to Light yellow to Green powder to crystal
Application
N,N,N',N'-Tetrakis(4-biphenylyl)benzidine is an electron-rich triarylamine derivative designed with two amines substituted by four biphenyl groups. It serves primarily as a hole transport layer (HTL) material in organic light-emitting diodes (OLEDs). This compound exhibits high charge carrier mobility, which allows for efficient and rapid hole extraction from the adjacent donor layer. Consequently, utilizing this material can lead to enhanced open-circuit voltage and improve the power conversion efficiency (PCE) to approximately 9% in reference devices.
Storage
Store under inert gas
Complexity
1060
Covalently-Bonded Unit Count
1
Exact Mass
792.350449g/mol
Formal Charge
0
Hazard Statements
H351 : Suspected of causing cancer.
Heavy Atom Count
62
MDL Number
MFCD11977303
Monoisotopic Mass
792.350449g/mol
Precautionary Statements
P501 : Dispose of contents/ container to an approved waste disposal plant.P202 : Do not handle until all safety precautions have been read and understood.P201 : Obtain special instructions before use.P280 : Wear protective gloves/ protective clothing/ eye protection/ face protection.P308 + P313 : IF exposed or concerned: Get medical advice/ attention.P405 : Store locked up.
Rotatable Bond Count
11
Signal Word
Warning
XLogP3
16.5
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