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Home > Imidazoles > 87967-68-8
87967-68-8 | Quinoxaline, 6-(5-nitro-1H-benzimidazol-1-yl)-2,3-diphenyl-
CAS No: 87967-68-8 Catalog No: AG004D3N MDL No:
Product Description
Catalog Number:
AG004D3N
Chemical Name:
Quinoxaline, 6-(5-nitro-1H-benzimidazol-1-yl)-2,3-diphenyl-
CAS Number:
87967-68-8
Molecular Formula:
C27H17N5O2
Molecular Weight:
443.4562
IUPAC Name:
6-(5-nitrobenzimidazol-1-yl)-2,3-diphenylquinoxaline
InChI:
InChI=1S/C27H17N5O2/c33-32(34)21-12-14-25-24(16-21)28-17-31(25)20-11-13-22-23(15-20)30-27(19-9-5-2-6-10-19)26(29-22)18-7-3-1-4-8-18/h1-17H
InChI Key:
QCEVVCGNLYRMBP-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)ncn2c1ccc2c(c1)nc(c(n2)c1ccccc1)c1ccccc1
Properties
Complexity:
704
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
443.138g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
443.466g/mol
Monoisotopic Mass:
443.138g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
89.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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