5(4H)-Isoxazolone,4-[5-(5-hydroxy-3-phenyl-4-isoxazolyl)-2,4-pentadien-1-ylidene]-3-phenyl- (61389-30-8)

The Oxonol V with cas registry number of 61389-30-8, has the systematic name of (4E)-4-[(2E,4E)-5-(5-hydroxy-3-phenylisoxazol-4-yl)penta-2,4-dien-1-ylidene]-3-phenylisoxazol-5(4H)-one. Its IUPAC name is (4Z)-4-[(2E,4E)-5-(5-oxo-3-phenyl-2H-1,2-oxazol-4-yl)penta-2,4-dienylidene]-3-phenyl-1,2-oxazol-5-one.

Physical properties about this chemical are: (1)ACD/LogP: 3.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.12; (4)ACD/LogD (pH 7.4): 1.42; (5)ACD/BCF (pH 5.5): 101.47; (6)ACD/BCF (pH 7.4): 2; (7)ACD/KOC (pH 5.5): 654.28; (8)ACD/KOC (pH 7.4): 12.9; (9)#H bond acceptors: 6; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 84.92 Å²; (13)Index of Refraction: 1.631; (14)Molar Refractivity: 108.94 cm³; (15)Molar Volume: 305.5 cm³; (16)Polarizability: 43.18×10^-24cm³; (17)Surface Tension: 49.9 dyne/cm; (18)Enthalpy of Vaporization: 97.14 kJ/mol; (19)Vapour Pressure: 1.13E-16 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The Oxonol V irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure: 
(1)SMILES: Oc4onc(c1ccccc1)c4/C=C/C=C/C=C3/C(=O)O\N=C3\c2ccccc2;
(2)InChI: InChI=1/C23H16N2O4/c26-22-18(20(24-28-22)16-10-4-1-5-11-16)14-8-3-9-15-19-21(25-29-23(19)27)17-12-6-2-7-13-17/h1-15,26H/b9-3+,14-8+,19-15+;
(3)InChIKey: NEDZCQDBZLHEGJ-GLBDIXCZBA;
(4)Std. InChI: InChI=1S/C23H16N2O4/c26-22-18(20(24-28-22)16-10-4-1-5-11-16)14-8-3-9-15-19-21(25-29-23(19)27)17-12-6-2-7-13-17/h1-15,26H/b9-3+,14-8+,19-15+;
(5)Std. InChIKey: NEDZCQDBZLHEGJ-GLBDIXCZSA-N