6-methyl-2,3-diphen...

6-methyl-2,3-diphenyl-1H-indole(CAS No. 54879-92-4)

6-methyl-2,3-diphenyl-1H-indole(CAS No. 54879-92-4)

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6-methyl-2,3-diphenyl-1H-indole 54879-92-4 98%

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  • Appearance:Solid
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Details:

【Name】
6-methyl-2,3-diphenyl-1H-indole
【Iupac name】
6-methyl-2,3-diphenyl-1H-indole
【CAS Registry number】
54879-92-4
【Synonyms】
6-methyl-2,3-diphenyl-1h-indole
54879-92-4
NSC76728
AC1Q1GZL
AC1L5OI2
AR-1H2150
NSC-76728
【Molecular Formula】
C21H17N (Products with the same molecular formula)
【Molecular Weight】
283.3664
【Inchi】
InChI=1/C21H17N/c1-15-12-13-18-19(14-15)22-21(17-10-6-3-7-11-17)20(18)16-8-4-2-5-9-16/h2-14,22H,1H3
【Canonical SMILES】
CC1=CC2=C(C=C1)C(=C(N2)C3=CC=CC=C3)C4=CC=CC=C4
Chemical and Physical Properties
【Density】
1.139g/cm3
【Boiling Point】
458.1°C at 760 mmHg
【Refractive Index】
1.666
【Flash Point】
200.6°C
【Computed Properties】
Molecular Weight:283.36638 [g/mol]
Molecular Formula:C21H17N
XLogP3-AA:5.7
H-Bond Donor:1
H-Bond Acceptor:0
Rotatable Bond Count:2
Exact Mass:283.1361
MonoIsotopic Mass:283.1361
Topological Polar Surface Area:15.8
Heavy Atom Count:22
Formal Charge:0
Complexity:353
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Donor Count:1
Feature 3D Cation Count:1
Feature 3D Ring Count:4
Effective Rotor Count:2
Conformer Sampling RMSD:0.6
CID Conformer Count:2

 

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