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21470-37-1

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Basic Information
CAS No.: 21470-37-1
Name: 2-BIPHENYL-4-YL-1H-INDOLE
Molecular Structure:
Molecular Structure of 21470-37-1 (2-BIPHENYL-4-YL-1H-INDOLE)
Formula: C20H15N
Molecular Weight: 269.346
Synonyms: 2-(4-Phenylphenyl)-1H-indole;
Density: 1.158 g/cm3
Melting Point: 302-304 °C
Boiling Point: 513 °C at 760 mmHg
Flash Point: 229.9 °C
Hazard Symbols: IrritantXi
PSA: 15.79000
LogP: 5.50190
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Specification

The 1H-Indole,2-[1,1'-biphenyl]-4-yl-, with the CAS registry number of 21470-37-1, is also known as 2-(4-Phenylphenyl)-1H-indole. This chemical's molecular formula is C20H15N and molecular weight is 269.34. What's more, its systematic name is 2-Biphenyl-4-yl-1H-indole.

Physical properties about the 1H-Indole,2-[1,1'-biphenyl]-4-yl- are: (1)ACD/LogP: 6.33; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.33; (4)ACD/LogD (pH 7.4): 6.33; (5)ACD/BCF (pH 5.5): 38295.27; (6)ACD/BCF (pH 7.4): 38295.27; (7)ACD/KOC (pH 5.5): 66404.71; (8)ACD/KOC (pH 7.4): 66404.71; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 4.93 Å2; (13)Index of Refraction: 1.678; (14)Molar Refractivity: 87.71 cm3; (15)Molar Volume: 232.4 cm3; (16)Surface Tension: 49.7 dyne/cm; (17)Density: 1.158 g/cm3; (18)Flash Point: 229.9 °C; (19)Enthalpy of Vaporization: 75.47 kJ/mol; (20)Boiling Point: 513 °C at 760 mmHg; (21)Vapour Pressure: 3.98E-10 mmHg at 25 °C.

Uses: it is used to produce other chemicals. For example, it is used to produce N-Benzyl-2-diphenylindole. This reaction needs reagent KOH. Meanwhile, it needs solvent Benzene. The reaction time is 2 h with reaction temperature of 60 °C. The yield is about 79 %.

The 1H-Indole,2-[1,1'-biphenyl]-4-yl- can react with chloromethyl-benzene to get N-benzyl-2-diphenylindole

You can still convert the following datas into molecular structure:
(1) SMILES: c1cccc2nc(cc12)c3ccc(cc3)c4ccccc4
(2) InChI: InChI=1/C20H15N/c1-2-6-15(7-3-1)16-10-12-17(13-11-16)20-14-18-8-4-5-9-19(18)21-20/h1-14,21H
(3) InChIKey: IZQXDFSSLHWRBK-UHFFFAOYAB