Chem
J-GLOBAL ID：201707007916181857   Nikkaji number：J3.607.573B

2,8-Dimethyl-3,9-bis[[3,5-dimethyl-4-(hexyloxy)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-(ヘキシルオキシ)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： C45H58N6O2
Molecular formula furigana： C45-H58-N6-O2
Molecular weight： 714.999
InChI： InChI=1S/C45H58N6O2/c1-9-11-13-15-17-52-44-32(5)21-38(22-33(44)6)46-48-40-25-42-36(19-30(40)3)27-51-29-50(42)28-37-20-31(4)41(26-43(37)51)49-47-39-23-34(7)45(35(8)24-39)53-18-16-14-12-10-2/h19-26H,9-18,27-29H2,1-8H3
InChI key： URINXLRVGTUPLS-UHFFFAOYSA-N
SMILES： CCCCCCOc1c(C)cc(cc1C)N=Nc1cc2N3CN(Cc2cc1C)c1cc(N=Nc2cc(C)c(OCCCCCC)c(C)c2)c(C)cc1C3
Systematic name  (3)：
  • 2,8-ジメチル-3,9-ビス[[3,5-ジメチル-4-(ヘキシルオキシ)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-(ヘキシルオキシ)-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-(hexyloxy)-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-(hexyloxy)phenyl]azo]-5,6,11,12-tetrahydro-5,11-methanodibenzo[b,f][1,5]diazocine
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