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Merck
CN

932426

4,4′,4′′-Tris(N-(naphthalen-2-yl)-N-phenyl-amino)-triphenylamine

≥99% (HPLC)

Synonym(s):

4,4′,4′′-Tris[2-naphthyl(phenyl)amino]triphenylamine, 2T-NATA, 2-TNATA, 2TNATA

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About This Item

Empirical Formula (Hill Notation):
C66H48N4
CAS Number:
185690-41-9
Molecular Weight:
897.11
UNSPSC Code:
12352116
NACRES:
NA.23
MDL number:
MFCD01310662
Assay:
≥99% (HPLC)
Grade:
sublimed grade
Solubility:
THF: soluble, chloroform: soluble

Key Documents

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InChI

1S/C66H48N4/c1-4-22-55(23-5-1)68(64-31-28-49-16-10-13-19-52(49)46-64)61-40-34-58(35-41-61)67(59-36-42-62(43-37-59)69(56-24-6-2-7-25-56)65-32-29-50-17-11-14-20-53(50)47-65)60-38-44-63(45-39-60)70(57-26-8-3-9-27-57)66-33-30-51-18-12-15-21-54(51)48-66/h1-48H

SMILES string

c1ccc(cc1)N(c2ccc(cc2)N(c3ccc(cc3)N(c4ccccc4)c5ccc6ccccc6c5)c7ccc(cc7)N(c8ccccc8)c9ccc%10ccccc%10c9)c%11ccc%12ccccc%12c%11

InChI key

KDOQMLIRFUVJNT-UHFFFAOYSA-N

grade

sublimed grade

description

μh ≈ 3.0 x 10-6 cm2 V−1 s−1, Hole Transport Layer

assay

≥99% (HPLC)

loss

0.5% TGA, > 350 °C (weight loss)

mp

247 °C

solubility

THF: soluble, chloroform: soluble

fluorescence

λem 490 nm±10 nm in THF

orbital energy

HOMO 5.1 eV , LUMO 2.2 eV 

λ

in THF

UV absorption

λ: 326 nm±5 nm Amax

Quality Level

100

Related Categories

Application

4,4′,4′′-Tris(N-(naphthalen-2-yl)-N-phenyl-amino)-triphenylamine can be used in various applications in organic electronics and materials chemistry such as organic Light-Emitting Diodes (OLEDs), organic Photovoltaics(OPVs), organic Field-Effect Transistors (OFETs), dye-sensitized solar Cells(DSSCs), as a hole transport material. It can be utilized in the assembly of supramolecular structures or coordination polymers, offering opportunities for the design and synthesis of functional materials.
Injection Layer (HIL) in Organic Light Emitting Diode (OLED).

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
MKCT1309

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Synthesis and electroluminescent properties of 9,10-diphenylanthracene containing 9H-carbazole derivatives for blue organic light-emitting diodes.
Lee S B, et al.
Synthetic Metals, 203, 174-179 (2015)
Beomjin Kim et al.
Journal of nanoscience and nanotechnology, 14(8), 6404-6408 (2015-05-06)
New hole injection materials for OLED based on phenothiazine were synthesized, and the electro-optical properties of synthesized materials were examined by through UV-Vis. and photoluminescence spectroscopy as well as cyclic voltammetry. 1-NDD-t-BPBP and 2-NDD-t-BPBP showed Tg of 180 and 177
Synthesis and electroluminescent properties of 9,10-diphenylanthracene containing 9H-carbazole derivatives for blue organic light-emitting diodes.
Lee S B, et al.
Synth. Meth. Organomet. Inorg. Chem., 203, 174-179 (2015)

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