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| CAS No.: | 155471-10-6 |
|---|---|
| Name: | 2-Methyl-1-pentyl-3-(1-naphthoyl)indole |
| Molecular Structure: | |
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| Formula: | C25H25NO |
| Molecular Weight: | 355.4721 |
| Synonyms: | 2-Methyl-1-pentyl-3-(1-naphthoyl)indole;(2-Methyl-1-pentyl-1H-indol-3-yl)-1-naphthalenylmethanone |
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Specification
The 2-Methyl-1-pentyl-3-(1-naphthoyl)indole is an organic compound with the formula C25H25NO. The systematic name of this chemical is (2-Methyl-1-pentyl-1H-indol-3-yl)(naphthalen-1-yl)methanone. With the CAS registry number 155471-10-6, it is also named as Methanone, (2-methyl-1-pentyl-1H-indol-3-yl)-1-naphthalenyl-. Besides, its molecular weight is 355.4721.
Physical properties about 2-Methyl-1-pentyl-3-(1-naphthoyl)indole are: (1)ACD/LogP: 7.40; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7; (4)ACD/LogD (pH 7.4): 7; (5)ACD/BCF (pH 5.5): 214568; (6)ACD/BCF (pH 7.4): 214568; (7)ACD/KOC (pH 5.5): 227987; (8)ACD/KOC (pH 7.4): 227987; (9)#H bond acceptors: 2; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 22 Å2; (12)Index of Refraction: 1.601; (13)Molar Refractivity: 112.006 cm3; (14)Molar Volume: 327.157 cm3; (15)Polarizability: 44.402×10-24 cm3; (16)Surface Tension: 40.472 dyne/cm; (17)Density: 1.087 g/cm3; (18)Flash Point: 272.088 °C; (19)Enthalpy of Vaporization: 80.06 kJ/mol; (20)Boiling Point: 526.286 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C25H25NO/c1-3-4-9-17-26-18(2)24(22-14-7-8-16-23(22)26)25(27)21-15-10-12-19-11-5-6-13-20(19)21/h5-8,10-16H,3-4,9,17H2,1-2H3
(2)InChIKey: IBBNKINXTRKICJ-UHFFFAOYAJ
(3)Std. InChI: InChI=1S/C25H25NO/c1-3-4-9-17-26-18(2)24(22-14-7-8-16-23(22)26)25(27)21-15-10-12-19-11-5-6-13-20(19)21/h5-8,10-16H,3-4,9,17H2,1-2H3
(4)Std. InChIKey: IBBNKINXTRKICJ-UHFFFAOYSA-N