5,12-dimethyl-5,7,12,14-tetrahydro-5,12-diazapentacene-7,14-dione

• ChemBase ID: 144651
• Molecular Formular: C22H16N2O2
• Molecular Mass: 340.37464
• Monoisotopic Mass: 340.12117776
• SMILES: Cn1c2ccccc2c(=O)c2c1cc1c(c2)n(c2ccccc2c1=O)C
• Canonical SMILES: Cn1c2cc3c(cc2c(=O)c2c1cccc2)n(C)c1c(c3=O)cccc1
• InChI: InChI=1S/C22H16N2O2/c1-23-17-9-5-3-7-13(17)21(25)15-12-20-16(11-19(15)23)22(26)14-8-4-6-10-18(14)24(20)2/h3-12H,1-2H3
• InChIKey: SCZWJXTUYYSKGF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,12-dimethyl-5,7,12,14-tetrahydro-5,12-diazapentacene-7,14-dione
• IUPAC Traditional name: 5,12-dimethyl-5,12-diazapentacene-7,14-dione
• Synonyms: DMQA; 5,12-Dihydro-5,12-dimethylquino[2,3-b]acridine-7,14-dione; 5,12-二氢-5,12-二甲基喹啉并[2,3-b]吖啶-7,14-二酮

Database IDs

• CAS Number: 19205-19-7
• MDL Number: MFCD00683078
• PubChem SID: 24879680; 162238863
• PubChem CID: 2844779

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.2726574
• LogD (pH = 7.4): 4.272664
• Log P: 4.272664
• Molar Refractivity: 101.8588 cm^3
• Polarizability: 38.130585 Å^3
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 286 °C (dec.)(lit.)
• Absorption Wavelength: λmax 295 nm in methylene chloride

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• OLED Device Performance: ITO/NPD/Alq3:DMQA (1.8 wt %)/LiF/Al2• Color: green• Max. Luminance: 22000 Cd/m2• Max. EQE: 2.1 %; ITO/NPD/Alq3:DMQA (5 wt %)/LiF/Al2• Color: green• Max. Luminance: 13000 Cd/m2• Max. EQE: 1.5 %
• Empirical Formula (Hill Notation): C22H16N2O2

DETAILS

Sigma Aldrich - 557587

Application
Green dopant for OLED applications.
When used as the emissive dopant in an Alq host layer, DMQA provides improved operational stability.1
General description
Fluorescent dye
Packaging
500 mg in poly bottle