Chem
J-GLOBAL ID：201707017329191110   Nikkaji number：J3.607.579A

2,8-Dimethyl-3,9-bis[[3,5-dimethyl-4-(benzyloxy)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-(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： C47H46N6O2
Molecular formula furigana： C47-H46-N6-O2
Molecular weight： 726.925
InChI： InChI=1S/C47H46N6O2/c1-30-17-38-25-52-29-53(44(38)23-42(30)50-48-40-19-32(3)46(33(4)20-40)54-27-36-13-9-7-10-14-36)26-39-18-31(2)43(24-45(39)52)51-49-41-21-34(5)47(35(6)22-41)55-28-37-15-11-8-12-16-37/h7-24H,25-29H2,1-6H3
InChI key： OJZMPQVYBGUECA-UHFFFAOYSA-N
SMILES： Cc1cc2CN3CN(Cc4cc(C)c(cc34)N=Nc3cc(C)c(OCc4ccccc4)c(C)c3)c2cc1N=Nc1cc(C)c(OCc2ccccc2)c(C)c1
Systematic name  (3)：
  • 2,8-ジメチル-3,9-ビス[[3,5-ジメチル-4-(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-[4-(ベンジルオキシ)-3,5-ジメチルフェニル]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-[4-(benzyloxy)-3,5-dimethylphenyl]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-(benzyloxy)phenyl]azo]-5,6,11,12-tetrahydro-5,11-methanodibenzo[b,f][1,5]diazocine
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