9,10-Anthracenedione,1,5(or 1,8)-bis[(4-methylphenyl)amino]- (8005-40-1)

The Fat Soluble Violet Anthraquinone is an organic compound with the formula C₂₈H₂₂N₂O₂. The IUPAC name of this chemical is 1,5-bis(4-methylanilino)anthracene-9,10-dione. With the CAS registry number 8005-40-1, it is also named as 1,5(Or1,8)-bis((4-methylphenyl)amino)anthraquinone; 9,10-Anthracenedione, 1,5(or 1,8)-bis((4-methylphenyl)amino)-. The Other Registry Numbers are 59459-28-8, 67577-84-8 and 72146-56-6.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 5.81; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.81; (4)ACD/LogD (pH 7.4): 5.81; (5)ACD/BCF (pH 5.5): 15237.65; (6)ACD/BCF (pH 7.4): 15237.65; (7)ACD/KOC (pH 5.5): 34333.68; (8)ACD/KOC (pH 7.4): 34333.68; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.714; (13)Molar Refractivity: 127.06 cm³; (14)Molar Volume: 323.6 cm³; (15)Polarizability: 50.37×10^-24 cm³; (16)Surface Tension: 63 dyne/cm; (17)Enthalpy of Vaporization: 93.69 kJ/mol; (18)Vapour Pressure: 5.73E-16 mmHg at 25°C; (19)Rotatable Bond Count: 4; (20)Tautomer Count: 15; (21)Exact Mass: 418.168128; (22)MonoIsotopic Mass: 418.168128; (23)Topological Polar Surface Area: 58.2; (24)Heavy Atom Count: 32.

People can use the following data to convert to the molecule structure. 
1. SMILES: O=C3c1c(cccc1Nc2ccc(cc2)C)C(=O)c4c3cccc4Nc5ccc(cc5)C;
2. InChI: InChI=1/C28H22N2O2/c1-17-9-13-19(14-10-17)29-23-7-3-5-21-25(23)27(31)22-6-4-8-24(26(22)28(21)32)30-20-15-11-18(2)12-16-20/h3-16,29-30H,1-2H3.