Quino[2,3-b]acridine-6,7,13,14(5H,12H)-tetrone (1503-48-6)

The IUPAC name of Quinacridonequinone is 5,12-dihydroquinolino[2,3-b]acridine-6,7,13,14-tetrone. With the CAS registry number 1503-48-6, it is also named as Quino(2,3-b)acridine-6,7,13,14(5H,12H)-tetrone. The product's categories are charge transport and photosensitizing materials; OLED and PLED materials; organic electronics and photonics. It is solid solution which is stable under normal temperature and pressure. In addition, Quinacridonequinone is not only used as automotive coatings, but also coloring the plastic puree. And people should not breathe dust and avoid contact with skin and eyes, so this chemical must be sealed in the container which should be placed in the cool and dry aera. Besides, it is dangerous to the water, so people should not release the material to the environment.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 2.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.71; (4)ACD/LogD (pH 7.4): 2.71; (5)ACD/BCF (pH 5.5): 67.54; (6)ACD/BCF (pH 7.4): 67.54; (7)ACD/KOC (pH 5.5): 709.9; (8)ACD/KOC (pH 7.4): 709.9; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.777; (13)Molar Refractivity: 89.04 cm³; (14)Molar Volume: 212.7 cm³; (15)Polarizability: 35.29×10^-24 cm³; (16)Surface Tension: 83.6 dyne/cm; (17)Enthalpy of Vaporization: 82.93 kJ/mol; (18)Vapour Pressure: 4E-12 mmHg at 25°C; (19)Tautomer Count: 10; (20)Exact Mass: 342.064057; (21)MonoIsotopic Mass: 342.064057; (22)Topological Polar Surface Area: 92.3; (23)Heavy Atom Count: 26; (24)Complexity: 754.

People can use the following data to convert to the molecule structure.
1. SMILES: O=C5c1ccccc1NC=4C(=O)C\2=C(\Nc3c(C/2=O)cccc3)C(=O)C=45;
2. InChI: InChI=1/C20H10N2O4/c23-17-9-5-1-3-7-11(9)21-15-13(17)19(25)16-14(20(15)26)18(24)10-6-2-4-8-12(10)22-16/h1-8H,(H,21,23)(H,22,24).