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N,N'-Di(4-biphenylyl)-N,N'-diphenylbenzidine

Catalog Number
ACM134008767-2
Product Name
N,N'-Di(4-biphenylyl)-N,N'-diphenylbenzidine
CAS
134008-76-7
Category
Organic Light-Emitting Diode (OLED) Materials
Synonyms
N,4-Diphenyl-N-[4-[4-(N-(4-Phenylphenyl)Anilino)Phenyl]Phenyl]Aniline
IUPAC Name
N,4-diphenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
Molecular Weight
640.83
Molecular Formula
C48H36N2
Canonical SMILES
C1=CC=C(C=C1)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)C8=CC=CC=C8
InChI
InChI=1S/C48H36N2/c1-5-13-37(14-6-1)39-21-29-45(30-22-39)49(43-17-9-3-10-18-43)47-33-25-41(26-34-47)42-27-35-48(36-28-42)50(44-19-11-4-12-20-44)46-31-23-40(24-32-46)38-15-7-2-8-16-38/h1-36H
InChI Key
SDVOZSYGHFDAKX-UHFFFAOYSA-N
Boiling Point
211.0 - 215.0 °C
Melting Point
213 °C
Purity
95%+
Appearance
White to Orange to Green powder to crystal
Storage
Store under inert gas
Complexity
859
Covalently-Bonded Unit Count
1
Exact Mass
640.287849g/mol
Formal Charge
0
Hazard Statements
H411 : Toxic to aquatic life with long lasting effects.
Heavy Atom Count
50
MDL Number
MFCD00228123
Monoisotopic Mass
640.287849g/mol
Precautionary Statements
P501 : Dispose of contents/ container to an approved waste disposal plant.P273 : Avoid release to the environment.P391 : Collect spillage.
Rotatable Bond Count
9
Signal Word
Warning
XLogP3
13.3
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