Dataset

2-((E)-2-(3-methylquinoxalin-2-yl)vinyl)-3-((E)-2-(3-(octyloxy)quinoxalin-2-yl)vinyl)-6,7-diphenylquinoxaline

This dataset contains experimental data from a sample (2-[(E)-2-(3-methylquinoxalin-2-yl)ethenyl]-3-[(E)-2-(3-octoxyquinoxalin-2-yl)ethenyl]-6,7-diphenylquinoxaline, InChI=1S/C49H44N6O/c1-3-4-5-6-7-18-31-56-49-46(52-42-25-16-17-26-43(42)55-49)30-29-45-44(28-27-39-34(2)50-40-23-14-15-24-41(40)51-39)53-47-32-37(35-19-10-8-11-20-35)38(33-48(47)54-45)36-21-12-9-13-22-36/h8-17,19-30,32-33H,3-7,18,31H2,1-2H3/b28-27+,30-29+).

Chemical Info

molecular Image
InChI InChI=1S/C49H44N6O/c1-3-4-5-6-7-18-31-56-49-46(52-42-25-16-17-26-43(42)55-49)30-29-45-44(28-27-39-34(2)50-40-23-14-15-24-41(40)51-39)53-47-32-37(35-19-10-8-11-20-35)38(33-48(47)54-45)36-21-12-9-13-22-36/h8-17,19-30,32-33H,3-7,18,31H2,1-2H3/b28-27+,30-29+
SMILES CCCCCCCCOc1nc2ccccc2nc1/C=C/c1nc2cc(-c3ccccc3)c(-c3ccccc3)cc2nc1/C=C/c1nc2ccccc2nc1C
InChI Key LKSMCVFTDQIOMY-XOXGWFOHSA-N
Molecular Formula C49H44N6O
Exact Mass 732.932 g/mol

Data and Resources

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Metadata Information

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DOI
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Author Klein, Jérôme
Maintainer chemotion.net
Language en
MetadataCreated 2022-10-06T14:10:49.894759
MetadataModified 2022-10-06T14:10:49.894763
MetadataPublished
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Measurement Variables