Isoquinoline,1-(9,9-dimethyl-9H-fluoren-2-yl)- (435277-99-9)

The cas register number of 1-(9,9-Dimethylfluoren-2-yl)isoquinoline is 435277-99-9. It also can be called as Isoquinoline,1-(9,9-dimethyl-9H-fluoren-2-yl)- and the Systematic name about this chemical is 1-(9,9-dimethyl-9H-fluoren-2-yl)isoquinoline. It belongs to the API intermediates.

Physical properties about 1-(9,9-Dimethylfluoren-2-yl)isoquinoline are: (1)ACD/LogP: 6.84; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.7; (4)ACD/LogD (pH 7.4): 6.84; (5)ACD/BCF (pH 5.5): 66792.33; (6)ACD/BCF (pH 7.4): 92354.27; (7)ACD/KOC (pH 5.5): 90057.17; (8)ACD/KOC (pH 7.4): 124522.75; (9)#H bond acceptors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 12.89 Å²; (12)Index of Refraction: 1.664; (13)Molar Refractivity: 103.64 cm³; (14)Molar Volume: 279.3 cm³; (15)Polarizability: 41.08x10^-24cm³; (16)Surface Tension: 49.5 dyne/cm; (17)Enthalpy of Vaporization: 73.96 kJ/mol; (18)Boiling Point: 500.2 °C at 760 mmHg; (19)Vapour Pressure: 1.2E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC2(C)c5ccccc5c1ccc(cc12)c4nccc3ccccc34
(2)InChI: InChI=1/C24H19N/c1-24(2)21-10-6-5-9-19(21)20-12-11-17(15-22(20)24)23-18-8-4-3-7-16(18)13-14-25-23/h3-15H,1-2H3
(3)InChIKey: UCAPEQBJBMYCNV-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C24H19N/c1-24(2)21-10-6-5-9-19(21)20-12-11-17(15-22(20)24)23-18-8-4-3-7-16(18)13-14-25-23/h3-15H,1-2H3
(5)Std. InChIKey: UCAPEQBJBMYCNV-UHFFFAOYSA-N