Chem
J-GLOBAL ID：200907044649150599   Nikkaji number：J1.466.896I

1,7,13,20-Tetrakis(2-naphthylmethyl)-1,13-tetramethylene-7,20-tetramethylene-1,7,13,20-tetraazoniacyclohexacosane

1,7,13,20-テトラキス(2-ナフチルメチル)-1,13-テトラメチレン-7,20-テトラメチレン-1,7,13,20-テトラアゾニアシクロヘキサコサン
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： C74H96[N+]4
Molecular formula furigana： C74-H96-N4
Molecular weight： 1041.608
InChI： InChI=1S/C74H96N4/c1-3-17-45-76(60-64-36-40-68-28-8-12-32-72(68)56-64)47-19-5-21-49-78(62-66-38-42-70-30-10-14-34-74(70)58-66)50-22-6-20-48-77(53-25-24-52-76,61-65-37-41-69-29-9-13-33-73(69)57-65)46-18-4-2-16-44-75(43-15-1,51-23-26-54-78)59-63-35-39-67-27-7-11-31-71(67)55-63/h7-14,27-42,55-58H,1-6,15-26,43-54,59-62H2/q+4
InChI key： LOUIYWMDPVVMGV-UHFFFAOYSA-N
SMILES： C(c1ccc2ccccc2c1)[N+]12CCCCCC[N+]3(Cc4ccc5ccccc5c4)CCCCC[N+](Cc4ccc5ccccc5c4)(CCCCC[N+](Cc4ccc5ccccc5c4)(CCCCCC1)CCCC3)CCCC2
Systematic name  (3)：
  • 1,7,13,20-テトラキス(2-ナフチルメチル)-1,13-テトラメチレン-7,20-テトラメチレン-1,7,13,20-テトラアゾニアシクロヘキサコサン
  • 1,7,14,21-テトラキス[(ナフタレン-2-イル)メチル]-1,7,14,21-テトラアザトリシクロ[12.12.4.47,21]テトラトリアコンタン-1,7,14,21-テトライウム
  • 1,7,14,21-tetrakis[(naphthalen-2-yl)methyl]-1,7,14,21-tetraazatricyclo[12.12.4.47,21]tetratriacontane-1,7,14,21-tetraium
Other name (1)：
  • 1,7,13,20-Tetrakis(2-naphthylmethyl)-1,13-tetramethylene-7,20-tetramethylene-1,7,13,20-tetraazoniacyclohexacosane
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