Chem
J-GLOBAL ID：200907086563579732   Nikkaji number：J1.404.466C

4,4′-[(1,8-Anthracenediyl)bisethynylene]bis[2,6-bis(morpholinomethyl)phenol]

4,4′-[(1,8-アントラセンジイル)ビスエチニレン]ビス[2,6-ビス(モルホリノメチル)フェノール]
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： C50H54N4O6
Molecular formula furigana： C50-H54-N4-O6
Molecular weight： 807.004
InChI： InChI=1S/C50H54N4O6/c55-49-43(33-51-11-19-57-20-12-51)27-37(28-44(49)34-52-13-21-58-22-14-52)7-9-39-3-1-5-41-31-42-6-2-4-40(48(42)32-47(39)41)10-8-38-29-45(35-53-15-23-59-24-16-53)50(56)46(30-38)36-54-17-25-60-26-18-54/h1-6,27-32,55-56H,11-26,33-36H2
InChI key： KHXJAWWXVFBVGT-UHFFFAOYSA-N
SMILES： Oc1c(CN2CCOCC2)cc(cc1CN1CCOCC1)C#Cc1cccc2cc3cccc(C#Cc4cc(CN5CCOCC5)c(O)c(CN5CCOCC5)c4)c3cc12
Systematic name  (3)：
  • 4,4′-[(1,8-アントラセンジイル)ビスエチニレン]ビス[2,6-ビス(モルホリノメチル)フェノール]
  • 4-{2-[8-(2-{4-ヒドロキシ-3,5-ビス[(モルホリン-4-イル)メチル]フェニル}エチニル)アントラセン-1-イル]エチニル}-2,6-ビス[(モルホリン-4-イル)メチル]フェノール
  • 4-{2-[8-(2-{4-hydroxy-3,5-bis[(morpholin-4-yl)methyl]phenyl}ethynyl)anthracen-1-yl]ethynyl}-2,6-bis[(morpholin-4-yl)methyl]phenol
Other name (1)：
  • 4,4′-[(1,8-Anthracenediyl)bisethynylene]bis[2,6-bis(morpholinomethyl)phenol]
Thsaurus map：
Thesaurus Map

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