Chem
J-GLOBAL ID：200907062694730464   Nikkaji number：J2.104.494F

(1R,2R)-N,N′-Bis[2-hydroxy-2′-(4-methyl-3,5-difluorophenyl)-1,1′-binaphthalene-3-ylmethylene]-1,2-cyclohexanediamine

(1R,2R)-N,N′-ビス[2-ヒドロキシ-2′-(4-メチル-3,5-ジフルオロフェニル)-1,1′-ビナフタレン-3-イルメチレン]-1,2-シクロヘキサンジアミン
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： C62H46F4N2O2
Molecular formula furigana： C62-H46-F4-N2-O2
Molecular weight： 927.056
InChI： InChI=1S/C62H46F4N2O2/c1-35-51(63)29-41(30-52(35)64)49-25-23-37-13-3-7-17-45(37)57(49)59-47-19-9-5-15-39(47)27-43(61(59)69)33-67-55-21-11-12-22-56(55)68-34-44-28-40-16-6-10-20-48(40)60(62(44)70)58-46-18-8-4-14-38(46)24-26-50(58)42-31-53(65)36(2)54(66)32-42/h3-10,13-20,23-34,55-56,69-70H,11-12,21-22H2,1-2H3/t55-,56-/m1/s1
InChI key： QNYPKGQYCGTLOC-JBFSERFOSA-N
SMILES： Cc1c(F)cc(cc1F)c1ccc2ccccc2c1c1c(O)c(C=N[C@@H]2CCCC[C@H]2N=Cc2cc3ccccc3c(c2O)c2c(ccc3ccccc23)c2cc(F)c(C)c(F)c2)cc2ccccc12
Systematic name  (3)：
  • 3,3′′-[[(1R,2R)-1,2-シクロヘキサンジイル]ビス(ニトリロメチリジン)]ビス[2′-(3,5-ジフルオロ-4-メチルフェニル)-1,1′-ビナフタレン-2-オール]
  • 3,3′′-[[(1R,2R)-シクロヘキサン-1,2-ジイル]ビス(ニトリロメチリジン)]ビス[2′-(3,5-ジフルオロ-4-メチルフェニル)-1,1′-ビナフタレン-2-オール]
  • (1R,2R)-N,N′-ビス[2-ヒドロキシ-2′-(4-メチル-3,5-ジフルオロフェニル)-1,1′-ビナフタレン-3-イルメチレン]-1,2-シクロヘキサンジアミン
Other name (3)：
  • 3,3′′-[[(1R,2R)-1,2-Cyclohexanediyl]bis(nitrilomethylidyne)]bis[2′-(3,5-difluoro-4-methylphenyl)-1,1′-binaphthalene-2-ol]
  • 3,3′′-[[(1R,2R)-Cyclohexane-1,2-diyl]bis(nitrilomethylidyne)]bis[2′-(3,5-difluoro-4-methylphenyl)-1,1′-binaphthalene-2-ol]
  • (1R,2R)-N,N′-Bis[2-hydroxy-2′-(4-methyl-3,5-difluorophenyl)-1,1′-binaphthalene-3-ylmethylene]-1,2-cyclohexanediamine
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