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Details

Stereochemistry ACHIRAL
Molecular Formula C26H20N2
Molecular Weight 360.4504
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BATHOCUPROINE

SMILES

CC1=CC(C2=CC=CC=C2)=C3C=CC4=C(C=C(C)N=C4C3=N1)C5=CC=CC=C5

InChI

InChIKey=STTGYIUESPWXOW-UHFFFAOYSA-N
InChI=1S/C26H20N2/c1-17-15-23(19-9-5-3-6-10-19)21-13-14-22-24(20-11-7-4-8-12-20)16-18(2)28-26(22)25(21)27-17/h3-16H,1-2H3

HIDE SMILES / InChI

Molecular Formula C26H20N2
Molecular Weight 360.4504
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Description

Bathocuproine is a promising organic material of a hole blocking layer in organic light-emitting diodes or an electron buffer layer in organic photovoltaic cells. When a thin layer of bathocuproine is inserted between the metal electrode and the organic layer of the organic semiconductor device, the electron injection/collection efficiency at the interface is significantly improved. As an organic electronic material bathocuproine useful as OLED electron transporter and hole blocker. Bathocuproine sulphonate acts as a specific chelator of monovalent copper Cu(I).

Approval Year

Targets

Primary TargetPharmacologyConditionPotency
1.0 mM [Kd]

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
Unknown

PubMed

Sample Use Guides

In Vivo Use Guide
Unknown
Route of Administration: Unknown
In Vitro Use Guide
In Tyrode buffer, S-nitrosocysteine (cysNO) (10 microM) broke down at a rate of 3.3 uM/min. Bathocuproine sulphonate (10 microM) reduced this to 0.5 uM/min.
Substance Class Chemical
Record UNII
9THP2V94FX
Record Status Validated (UNII)
Record Version