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Home > Imidazoles > 835651-61-1
835651-61-1 | 1H-Imidazole, 4,5-bis(4-methylphenyl)-2-(9-phenanthrenyl)-
CAS No: 835651-61-1 Catalog No: AG0057K9 MDL No:
Product Description
Catalog Number:
AG0057K9
Chemical Name:
1H-Imidazole, 4,5-bis(4-methylphenyl)-2-(9-phenanthrenyl)-
CAS Number:
835651-61-1
Molecular Formula:
C31H24N2
Molecular Weight:
424.5357
IUPAC Name:
4,5-bis(4-methylphenyl)-2-phenanthren-9-yl-1H-imidazole
InChI:
InChI=1S/C31H24N2/c1-20-11-15-22(16-12-20)29-30(23-17-13-21(2)14-18-23)33-31(32-29)28-19-24-7-3-4-8-25(24)26-9-5-6-10-27(26)28/h3-19H,1-2H3,(H,32,33)
InChI Key:
HZFCROQRAYCJQI-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)c1[nH]c(nc1c1ccc(cc1)C)c1cc2ccccc2c2c1cccc2
Properties
Complexity:
631
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
424.194g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
424.547g/mol
Monoisotopic Mass:
424.194g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.3
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