3,3'-[5'-[3-(3-Pyridinyl)phenyl][1,1':3',1''-terphenyl]-3,3''-diyl]bispyridine

Name: 3,3'-[5'-[3-(3-Pyridinyl)phenyl][1,1':3',1''-terphenyl]-3,3''-diyl]bispyridine
SKU: ACM921205030-2
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Catalog NumberACM921205030-2

CAS Number921205-03-0

CategoryNitrogen-containing MOF ligand-ternary nitrogen-containing MOF ligand

3,3'-[5'-[3-(3-Pyridinyl)phenyl][1,1':3',1''-terphenyl]-3,3''-diyl]bispyridine

IUPAC Name

3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine

Molecular Weight

537.6g/mol

Molecular Formula

C39H27N3

Canonical SMILES

C1=CC(=CC(=C1)C2=CC(=CC(=C2)C3=CC=CC(=C3)C4=CN=CC=C4)C5=CC=CC(=C5)C6=CN=CC=C6)C7=CN=CC=C7

InChI

InChI=1S/C39H27N3/c1-7-28(34-13-4-16-40-25-34)19-31(10-1)37-22-38(32-11-2-8-29(20-32)35-14-5-17-41-26-35)24-39(23-37)33-12-3-9-30(21-33)36-15-6-18-42-27-36/h1-27H

InChI Key

CINYXYWQPZSTOT-UHFFFAOYSA-N

Application

The product, 3,3'-[5'-[3-(3-Pyridinyl)phenyl][1,1':3',1''-terphenyl]-3,3''-diyl]bispyridine, serves as an electron-transport and hole/exciton-blocking material, characterized by its high electron mobility and high triplet energy level, designed for use in highly efficient phosphorescent OLED applications. Its structure, featuring electron-deficient pyridine groups, a low-lying highest occupied molecular orbital (HOMO), and elevated triplet energy level, makes it ideal for functioning as an electron-transport layer and hole-blocking layer within various organic electronic devices, including OLEDs, organic photovoltaics (OPVs), and perovskite solar cells.

Complexity

697

Compound Is Canonicalized

Yes

Covalently-Bonded Unit Count

Defined Atom Stereocenter Count

Defined Bond Stereocenter Count

Exact Mass

537.220497874g/mol

Formal Charge

Heavy Atom Count

Hydrogen Bond Acceptor Count