2-Naphthalenecarboxamide,N-(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)-3-hydroxy-4-[2-[2-methoxy-5-methyl-4-[(methylamino)sulfonyl]phenyl]diazenyl]- (51920-12-8)

The IUPAC name of Pigment Red HF4C is (4Z)-4-[[2-methoxy-5-methyl-4-(methylsulfamoyl)phenyl]hydrazinylidene]-3-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)naphthalene-2-carboxamide. With the CAS registry number 51920-12-8, it is also named as 2-Naphthalenecarboxamide, N-(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)-3-hydroxy-4-((2-methoxy-5-methyl-4-((methylamino)sulfonyl)phenyl)azo)-. It is blue red pigment that the hue angle is 358.0 degrees (1 / 3 SD, HDPE). In addition, Pigment Red HF4C is almost completely insoluble in common organic solvents. Furthermore, it is used for metal decorating and laminating plastic film inks. And it is also used for coloring plastics, PE AND PP puree.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 2.42; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 1411; (6)ACD/BCF (pH 7.4): 1378; (7)ACD/KOC (pH 5.5): 6247; (8)ACD/KOC (pH 7.4): 6100; (9)#H bond acceptors: 12; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 6; (12)Index of Refraction: 1.722; (13)Molar Refractivity: 145.705 cm³; (14)Molar Volume: 368.156 cm³; (15)Polarizability: 57.762×10^-24 cm³; (16)Surface Tension: 62.751 dyne/cm; (17)Rotatable Bond Count: 7; (18)Tautomer Count: 24; (19)Exact Mass: 560.147803; (20)MonoIsotopic Mass: 560.147803; (21)Topological Polar Surface Area: 176; (22)Heavy Atom Count: 40; (23)Complexity: 1180.

People can use the following data to convert to the molecule structure. 
1. SMILES:O=S(=O)(NC)c1c(cc(c(OC)c1)N\N=C2\c5ccccc5\C=C(/C2=O)C(=O)Nc3ccc4c(c3)NC(=O)N4)C;
2. InChI: InChI=1/C27H24N6O6S/c1-14-10-21(22(39-3)13-23(14)40(37,38)28-2)32-33-24-17-7-5-4-6-15(17)11-18(25(24)34)26(35)29-16-8-9-19-20(12-16)31-27(36)30-19/h4-13,28,32H,1-3H3,(H,29,35)(H2,30,31,36)/b33-24-.