1,3,5-Tris(1-phenyl-1H-benzimidazol-2-yl)benzene
Catalog Number
ACM192198859-2
CAS
192198-85-9
IUPAC Name
2-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole
Synonyms
2,2',2''-(1,3,5-Benzenetriyl)tris(1-phenyl-1H-benzimidazole)
TPBi
TPBi
Application
1,3,5-Tris(1-phenyl-1H-benzimidazol-2-yl)benzene serves a crucial role in OLED devices, functioning primarily as an electron transport and exciton blocking material. As an electron-deficient compound, it is effectively utilized as an electron transport layer in various optoelectronic applications. Owing to its low LUMO energy level of 2.7 eV, it also acts as an excellent host material for both fluorescent and phosphorescent light-emitting systems. Additionally, this compound provides a streamlined alternative to CBP and Alq3 by simplifying device structures due to its remarkable electron transporting properties and impressive hole blocking capabilities, attributed to its deep HOMO energy level. Furthermore, it can be employed as an electron injection layer interposed between Alq3 and Cs2O3/Al electrodes, facilitating electron injection while simultaneously contributing to hole blocking and exciton confinement.
Molecular Weight
654.78
Molecular Formula
C45H30N6
Product Information
Canonical SMILES
C1=CC=C(C=C1)N2C3=CC=CC=C3N=C2C4=CC(=CC(=C4)C5=NC6=CC=CC=C6N5C7=CC=CC=C7)C8=NC9=CC=CC=C9N8C1=CC=CC=C1
InChI
InChI=1S/C45H30N6/c1-4-16-34(17-5-1)49-40-25-13-10-22-37(40)46-43(49)31-28-32(44-47-38-23-11-14-26-41(38)50(44)35-18-6-2-7-19-35)30-33(29-31)45-48-39-24-12-15-27-42(39)51(45)36-20-8-3-9-21-36/h1-30H
InChI Key
GEQBRULPNIVQPP-UHFFFAOYSA-N
Melting Point
275 °C
Purity
>98.0%(T)(HPLC)
Appearance
White to Almost white powder to crystal
Storage
Store under inert gas
Complexity
980
Condition to avoid
Air Sensitive
Exact Mass
654.25319498g/mol
Hazard Statements
H302 : Harmful if swallowed.
Heavy Atom Count
51
Hydrogen Bond Acceptor Count
3
Hydrogen Bond Donor Count
0
MDL Number
MFCD08276433
Monoisotopic Mass
654.25319498g/mol
Precautionary Statements
P501 : Dispose of contents/ container to an approved waste disposal plant.P270 : Do not eat, drink or smoke when using this product.P264 : Wash skin thoroughly after handling.P301 + P312 + P330 : IF SWALLOWED: Call a POISON CENTER/doctor if you feel unwell. Rinse mouth.
Reaxys Registry Number
9174751
Rotatable Bond Count
6
Signal Word
Warning
Topological Polar Surface Area
53.5Ų
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