Chem
J-GLOBAL ID：200907024129909133   Nikkaji number：J999.869A

4,4′-[[2,2′-Dimethyl-5,5′-bis(propoxy)-1,1′-biphenyl-4,4′-diyl]bis(azo)]bis(1-phenyl-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-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： C40H42N8O4
Molecular formula furigana： C40-H42-N8-O4
Molecular weight： 698.828
InChI： InChI=1S/C40H42N8O4/c1-7-19-51-35-23-31(25(3)21-33(35)41-43-37-27(5)45-47(39(37)49)29-15-11-9-12-16-29)32-24-36(52-20-8-2)34(22-26(32)4)42-44-38-28(6)46-48(40(38)50)30-17-13-10-14-18-30/h9-18,21-24,49-50H,7-8,19-20H2,1-6H3
InChI key： DVHKDCQBEHWIFY-UHFFFAOYSA-N
SMILES： CCCOc1cc(c(C)cc1N=Nc1c(C)nn(c1O)c1ccccc1)c1cc(OCCC)c(cc1C)N=Nc1c(C)nn(c1O)c1ccccc1
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-フェニル-3-メチル-1H-ピラゾール-5-オール)
  • 4-(2-{4'-[2-(5-ヒドロキシ-3-メチル-1-フェニル-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-1-フェニル-1H-ピラゾール-5-オール
  • 4-(2-{4'-[2-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)diazen-1-yl]-2,2'-dimethyl-5,5'-dipropoxy-[1,1'-biphenyl]-4-yl}diazen-1-yl)-3-methyl-1-phenyl-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-phenyl-3-methyl-1H-pyrazole-5-ol)
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