Chem
J-GLOBAL ID：201707009917154988   Nikkaji number：J3.607.583J

2,8-Dimethyl-3,9-bis[[3,5-dimethyl-4-[(4-nitrobenzyl)oxy]phenyl]azo]-5,6,11,12-tetrahydro-5,11-methanodibenzo[b,f][1,5]diazocine

2,8-ジメチル-3,9-ビス[[3,5-ジメチル-4-[(4-ニトロベンジル)オキシ]フェニル]アゾ]-5,6,11,12-テトラヒドロ-5,11-メタノジベンゾ[b,f][1,5]ジアゾシン
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： C47H44N6[N+]2O4[O-]2
Molecular formula furigana： C47-H44-N8-O6
Molecular weight： 816.919
InChI： InChI=1S/C47H44N8O6/c1-28-15-36-23-52-27-53(44(36)21-42(28)50-48-38-17-30(3)46(31(4)18-38)60-25-34-7-11-40(12-8-34)54(56)57)24-37-16-29(2)43(22-45(37)52)51-49-39-19-32(5)47(33(6)20-39)61-26-35-9-13-41(14-10-35)55(58)59/h7-22H,23-27H2,1-6H3
InChI key： GLGZPIWNNPCFQH-UHFFFAOYSA-N
SMILES： Cc1cc2CN3CN(Cc4cc(C)c(cc34)N=Nc3cc(C)c(OCc4ccc(cc4)[N+](=O)[O-])c(C)c3)c2cc1N=Nc1cc(C)c(OCc2ccc(cc2)[N+](=O)[O-])c(C)c1
Systematic name  (3)：
  • 2,8-ジメチル-3,9-ビス[[3,5-ジメチル-4-[(4-ニトロベンジル)オキシ]フェニル]アゾ]-5,6,11,12-テトラヒドロ-5,11-メタノジベンゾ[b,f][1,5]ジアゾシン
  • 4,12-ビス(2-{3,5-ジメチル-4-[(4-ニトロフェニル)メトキシ]フェニル}ジアゼン-1-イル)-5,13-ジメチル-1,9-ジアザテトラシクロ[7.7.1.02,7.010,15]ヘプタデカ-2,4,6,10(15),11,13-ヘキサエン
  • 4,12-bis(2-{3,5-dimethyl-4-[(4-nitrophenyl)methoxy]phenyl}diazen-1-yl)-5,13-dimethyl-1,9-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10(15),11,13-hexaene
Other name (1)：
  • 2,8-Dimethyl-3,9-bis[[3,5-dimethyl-4-[(4-nitrobenzyl)oxy]phenyl]azo]-5,6,11,12-tetrahydro-5,11-methanodibenzo[b,f][1,5]diazocine
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