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

Catalog Number
ACM164724350-1
Product Name
N,N,N',N'-Tetrakis(4-biphenylyl)benzidine
Structure
CAS
164724-35-0
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
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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