(1-Hexyl-5-phenyl-1H-pyrrol-3-yl)(naphthalen-1-yl)methanone

The (1-Hexyl-5-phenyl-1H-pyrrol-3-yl)(naphthalen-1-yl)methanone, with the CAS registry number 914458-20-1, is also known as Methanone, (1-hexyl-5-phenyl-1H-pyrrol-3-yl)-1-naphthalenyl-. It belongs to the product categories of Aromatics; Heterocycles; Intermediates & Fine Chemicals; Pharmaceuticals. This chemical's molecular formula is C₂₇H₂₇NO and molecular weight is 381.51. What's more, its IUPAC name is called (1-Hexyl-5-phenylpyrrol-3-yl)-naphthalen-1-ylmethanone. The production is an analgesic drug used in scientific research, which acts as a cannabinoid agonist at both the CB₁ and CB₂ receptors.

Physical properties about (1-Hexyl-5-phenyl-1H-pyrrol-3-yl)(naphthalen-1-yl)methanone are: (1)ACD/LogP: 8.581; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8.58; (4)ACD/LogD (pH 7.4): 8.58; (5)ACD/BCF (pH 5.5): 1000000.00; (6)ACD/BCF (pH 7.4): 1000000.00; (7)ACD/KOC (pH 5.5): 1109614.00; (8)ACD/KOC (pH 7.4): 1109614.00; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 22 Å²; (13)Index of Refraction: 1.589; (14)Molar Refractivity: 121.41 cm³; (15)Molar Volume: 360.141 cm³; (16)Surface Tension: 40.75 dyne/cm; (17)Density: 1.059 g/cm³; (18)Flash Point: 295.772 °C; (19)Enthalpy of Vaporization: 84.931 kJ/mol; (20)Boiling Point: 565.447 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CCCCCCn1cc(cc1c2ccccc2)C(=O)c3cccc4c3cccc4
(2) InChI: InChI=1S/C27H27NO/c1-2-3-4-10-18-28-20-23(19-26(28)22-13-6-5-7-14-22)27(29)25-17-11-15-21-12-8-9-16-24(21)25/h5-9,11-17,19-20H,2-4,10,18H2,1H3
(3) InChIKey: FRMYAMAGHYHNKF-UHFFFAOYSA-N