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835651-62-2

835651-62-2 | 1H-Imidazole, 4,5-bis(4-methoxyphenyl)-2-(9-phenanthrenyl)-

CAS No: 835651-62-2 Catalog No: AG004ZAD MDL No:

Product Description

Catalog Number:
AG004ZAD
Chemical Name:
1H-Imidazole, 4,5-bis(4-methoxyphenyl)-2-(9-phenanthrenyl)-
CAS Number:
835651-62-2
Molecular Formula:
C31H24N2O2
Molecular Weight:
456.5345
IUPAC Name:
4,5-bis(4-methoxyphenyl)-2-phenanthren-9-yl-1H-imidazole
InChI:
InChI=1S/C31H24N2O2/c1-34-23-15-11-20(12-16-23)29-30(21-13-17-24(35-2)18-14-21)33-31(32-29)28-19-22-7-3-4-8-25(22)26-9-5-6-10-27(26)28/h3-19H,1-2H3,(H,32,33)
InChI Key:
NHZVTGTZPGNWTC-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1[nH]c(nc1c1ccc(cc1)OC)c1cc2ccccc2c2c1cccc2

Properties

Complexity:
671  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
456.184g/mol
Formal Charge:
0
Heavy Atom Count:
35  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
456.545g/mol
Monoisotopic Mass:
456.184g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
47.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.5  

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