Chem
J-GLOBAL ID：200907051974978575   Nikkaji number：J1.516.332A

6,6′′-[4,5-Dimethyl-1,2-phenylenebis(nitrilomethylidyne)]-6′,6′′′-[4,5-dimethyl-1,2-phenylenebis(nitrilomethylidyne)]bis[2,2′-(2-methylenetrimethylene)bisphenol]

6,6′′-[4,5-ジメチル-1,2-フェニレンビス(ニトリロメチリジン)]-6′,6′′′-[4,5-ジメチル-1,2-フェニレンビス(ニトリロメチリジン)]ビス[2,2′-(2-メチレントリメチレン)ビスフェノール]
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： C52H48N4O4
Molecular formula furigana： C52-H48-N4-O4
Molecular weight： 792.980
InChI： InChI=1S/C52H48N4O4/c1-31-19-37-11-7-15-41(49(37)57)27-53-45-23-33(3)35(5)25-47(45)55-29-43-17-9-13-39(51(43)59)21-32(2)22-40-14-10-18-44(52(40)60)30-56-48-26-36(6)34(4)24-46(48)54-28-42-16-8-12-38(20-31)50(42)58/h7-18,23-30,57-60H,1-2,19-22H2,3-6H3
InChI key： DODLROOAFJFVJH-UHFFFAOYSA-N
SMILES： Cc1cc2N=Cc3cccc(CC(=C)Cc4cccc(C=Nc5cc(C)c(C)cc5N=Cc5cccc(CC(=C)Cc6cccc(C=Nc2cc1C)c6O)c5O)c4O)c3O
Systematic name  (4)：
  • 2,2′-[(2-メチレンプロパン-1,3-ジイル)ビス(2-ヒドロキシ-1,3-フェニレンメチリジンニトリロ)][1,1′-[(2-メチレンプロパン-1,3-ジイル)ビス(2-ヒドロキシ-1,3-フェニレンメチリジンニトリロ)]ビス(4,5-ジメチルベンゼン)]
  • 6,6′′-[4,5-ジメチル-1,2-フェニレンビス(ニトリロメチリジン)]-6′,6′′′-[4,5-ジメチル-1,2-フェニレンビス(ニトリロメチリジン)]ビス[2,2′-(2-メチレントリメチレン)ビスフェノール]
  • 6,7,29,30-テトラメチル-18,41-ジメチリデン-3,10,26,33-テトラアザヘプタシクロ[41.3.1.112,16.120,24.135,39.04,9.027,32]ペンタコンタ-1(47),2,4,6,8,10,12,14,16(50),20,22,24(49),25,27(32),28,30,33,35,37,39(48),43,45-ドコサエン-47,48,49,50-テトラオール
  • 6,7,29,30-tetramethyl-18,41-dimethylidene-3,10,26,33-tetraazaheptacyclo[41.3.1.112,16.120,24.135,39.04,9.027,32]pentaconta-1(47),2,4,6,8,10,12,14,16(50),20,22,24(49),25,27(32),28,30,33,35,37,39(48),43,45-docosaene-47,48,49,50-tetrol
Other name (2)：
  • 2,2′-[(2-Methylenepropane-1,3-diyl)bis(2-hydroxy-1,3-phenylenemethylidynenitrilo)][1,1′-[(2-methylenepropane-1,3-diyl)bis(2-hydroxy-1,3-phenylenemethylidynenitrilo)]bis(4,5-dimethylbenzene)]
  • 6,6′′-[4,5-Dimethyl-1,2-phenylenebis(nitrilomethylidyne)]-6′,6′′′-[4,5-dimethyl-1,2-phenylenebis(nitrilomethylidyne)]bis[2,2′-(2-methylenetrimethylene)bisphenol]
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