Chem
J-GLOBAL ID：201607005988333651   Nikkaji number：J3.527.028K

1,1′-[1,4-Phenylenebis[2-cyanoethene-2,1-diyl(4,1-phenylene)oxy(3,1-propanediyl)]]bis[3-(dihydroxyboryl)pyridinium]

1,1′-(1,4-フェニレン)ビス(1-シアノビニレン)ビス(1,4-フェニレン)ビスオキシビス(プロパン-1,3-ジイル)ビス(3-(ジヒドロキシボリル)ピリジニウム)
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： C40H38B2N2[N+]2O6
Molecular formula furigana： C40-H38-B2-N4-O6
Molecular weight： 692.380
InChI： InChI=1S/C40H38B2N4O6/c43-27-35(25-31-7-15-39(16-8-31)51-23-3-21-45-19-1-5-37(29-45)41(47)48)33-11-13-34(14-12-33)36(28-44)26-32-9-17-40(18-10-32)52-24-4-22-46-20-2-6-38(30-46)42(49)50/h1-2,5-20,25-26,29-30,47-50H,3-4,21-24H2/q+2
InChI key： YVMYQOVLFQVILX-UHFFFAOYSA-N
SMILES： OB(O)c1ccc[n+](CCCOc2ccc(C=C(C#N)c3ccc(cc3)C(=Cc3ccc(OCCC[n+]4cccc(c4)B(O)O)cc3)C#N)cc2)c1
Systematic name  (4)：
  • 1,1′-(1,4-フェニレン)ビス(1-シアノビニレン)ビス(1,4-フェニレン)ビスオキシビス(プロパン-1,3-ジイル)ビス(3-(ジヒドロキシボリル)ピリジニウム)
  • 1,1′-[1,4-フェニレンビス[2-シアノエテン-2,1-ジイル(4,1-フェニレン)オキシ(3,1-プロパンジイル)]]ビス[3-(ジヒドロキシボリル)ピリジニウム]
  • 1-{3-[4-(2-シアノ-2-{4-[1-シアノ-2-(4-{3-[3-(ジヒドロキシボラニル)ピリジン-1-イウム-1-イル]プロポキシ}フェニル)エタ-1-エン-1-イル]フェニル}エタ-1-エン-1-イル)フェノキシ]プロピル}-3-(ジヒドロキシボラニル)ピリジン-1-イウム
  • 1-{3-[4-(2-cyano-2-{4-[1-cyano-2-(4-{3-[3-(dihydroxyboranyl)pyridin-1-ium-1-yl]propoxy}phenyl)eth-1-en-1-yl]phenyl}eth-1-en-1-yl)phenoxy]propyl}-3-(dihydroxyboranyl)pyridin-1-ium
Other name (2)：
  • 1,1′-(1,4-Phenylene)bis(1-cyanovinylene)bis(1,4-phenylene)bisoxybis(propane-1,3-diyl)bis(3-(dihydroxyboryl)pyridinium)
  • 1,1′-[1,4-Phenylenebis[2-cyanoethene-2,1-diyl(4,1-phenylene)oxy(3,1-propanediyl)]]bis[3-(dihydroxyboryl)pyridinium]
Thsaurus map：
Thesaurus Map

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