CAS 192198-85-9 1,3,5-Tris(1-phenyl-1H-benzimidazol-2-yl)benzene

NAVIGATION

Other MOF Linkers

Synonyms

2,2',2''-(1,3,5-Benzenetriyl)tris(1-phenyl-1H-benzimidazole)
TPBi

IUPAC Name

2-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole

Molecular Weight

654.78

Molecular Formula

C45H30N6

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

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.

Storage

Store under inert gas

Complexity

980

Compound Is Canonicalized

Yes

Covalently-Bonded Unit Count

Defined Atom Stereocenter Count

Defined Bond Stereocenter Count

Exact Mass

654.25319498g/mol

Formal Charge

Hazard Statements

H302 : Harmful if swallowed.

Heavy Atom Count

Hydrogen Bond Acceptor Count

Hydrogen Bond Donor Count

Isotope Atom Count

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.

Rotatable Bond Count

Signal Word

Warning

Topological Polar Surface Area

53.5Å²

Undefined Atom Stereocenter Count

Undefined Bond Stereocenter Count

XLogP3

10.4

MSDS

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COA