Chem
J-GLOBAL ID：200907005780377056   Nikkaji number：J999.870E

4,4′-[[2,2′-Dimethyl-5,5′-bis(propoxy)-1,1′-biphenyl-4,4′-diyl]bis(azo)]bis[1-(4-chlorophenyl)-3-methyl-1H-pyrazole-5-ol]

4,4′-[[2,2′-ジメチル-5,5′-ビス(プロポキシ)-1,1′-ビフェニル-4,4′-ジイル]ビス(アゾ)]ビス[1-(4-クロロフェニル)-3-メチル-1H-ピラゾール-5-オール]
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： C40H40Cl2N8O4
Molecular formula furigana： C40-H40-CL2-N8-O4
Molecular weight： 767.710
InChI： InChI=1S/C40H40Cl2N8O4/c1-7-17-53-35-21-31(23(3)19-33(35)43-45-37-25(5)47-49(39(37)51)29-13-9-27(41)10-14-29)32-22-36(54-18-8-2)34(20-24(32)4)44-46-38-26(6)48-50(40(38)52)30-15-11-28(42)12-16-30/h9-16,19-22,51-52H,7-8,17-18H2,1-6H3
InChI key： MZAXBCWJBINWIH-UHFFFAOYSA-N
SMILES： CCCOc1cc(c(C)cc1N=Nc1c(C)nn(c1O)c1ccc(Cl)cc1)c1cc(OCCC)c(cc1C)N=Nc1c(C)nn(c1O)c1ccc(Cl)cc1
Systematic name  (3)：
  • 4,4′-[[2,2′-ジメチル-5,5′-ビス(プロポキシ)-1,1′-ビフェニル-4,4′-ジイル]ビス(アゾ)]ビス[1-(4-クロロフェニル)-3-メチル-1H-ピラゾール-5-オール]
  • 1-(4-クロロフェニル)-4-[2-(4'-{2-[1-(4-クロロフェニル)-5-ヒドロキシ-3-メチル-1H-ピラゾール-4-イル]ジアゼン-1-イル}-2,2'-ジメチル-5,5'-ジプロポキシ-[1,1'-ビフェニル]-4-イル)ジアゼン-1-イル]-3-メチル-1H-ピラゾール-5-オール
  • 1-(4-chlorophenyl)-4-[2-(4'-{2-[1-(4-chlorophenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]diazen-1-yl}-2,2'-dimethyl-5,5'-dipropoxy-[1,1'-biphenyl]-4-yl)diazen-1-yl]-3-methyl-1H-pyrazol-5-ol
Other name (1)：
  • 4,4′-[[2,2′-Dimethyl-5,5′-bis(propoxy)-1,1′-biphenyl-4,4′-diyl]bis(azo)]bis[1-(4-chlorophenyl)-3-methyl-1H-pyrazole-5-ol]
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