Chem
J-GLOBAL ID：200907082657928760   Nikkaji number：J960.507J

XE-991

XE-991
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C26H20N2O
Molecular formula furigana： C26-H20-N2-O
Molecular weight： 376.459
InChI： InChI=1S/C26H20N2O/c29-25-21-5-1-3-7-23(21)26(17-19-9-13-27-14-10-19,18-20-11-15-28-16-12-20)24-8-4-2-6-22(24)25/h1-16H,17-18H2
InChI key： KHJFBUUFMUBONL-UHFFFAOYSA-N
SMILES： O=C1c2ccccc2C(Cc2ccncc2)(Cc2ccncc2)c2ccccc12
Systematic name  (3)：
  • 10,10-ビス(4-ピリジルメチル)アントラセン-9(10H)-オン
  • 10,10-ビス[(ピリジン-4-イル)メチル]-9,10-ジヒドロアントラセン-9-オン
  • 10,10-bis[(pyridin-4-yl)methyl]-9,10-dihydroanthracen-9-one
Other name (3)：
  • 10,10-Bis(4-pyridylmethyl)anthracene-9(10H)-one
  • XE-991
  • XE991
KEGG COMPOUND： C13779
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