Chem
J-GLOBAL ID：200907025992680248   Nikkaji number：J2.508.602C

2,4:6,8:14,16:18,20-Tetra[1,2]benzeno-10,12-(3,5-cyclohexadiene-1,2-diylidene)-1,3,5,7,9,11,13,15,17,19-decaaza-1,4,6,8,13,15,17,19-cycloicosaoctaene

2,4:6,8:14,16:18,20-テトラ[1,2]ベンゼノ-10,12-(3,5-シクロヘキサジエン-1,2-ジイリデン)-1,3,5,7,9,11,13,15,17,19-デカアザ-1,4,6,8,13,15,17,19-シクロイコサオクタエン
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： C40H22N10
Molecular formula furigana： C40-H22-N10
Molecular weight： 642.686
InChI： InChI=1S/C40H22N10/c1-2-12-22-21(11-1)31-41-32(22)47-34-25-15-5-6-16-26(25)36(43-34)49-38-29-19-9-10-20-30(29)40(45-38)50-39-28-18-8-7-17-27(28)37(44-39)48-35-24-14-4-3-13-23(24)33(42-35)46-31/h1-20H,(H2,41,42,43,44,45,46,47,48,49,50)
InChI key： RZZZFXPOFKWSOB-UHFFFAOYSA-N
SMILES： c1ccc2/C/3=N/c4[nH]c(/N=C/5\N=C(/N=c/6\[nH]/c(=N\C7=N/C(=N/C(=N3)c2c1)/c1c7cccc1)/c1c6cccc1)c1c5cccc1)c1c4cccc1
Systematic name  (4)：
  • 2,3:7,8:12,13:17,18:22,23-ペンタ[1,3]ブタジエノ-1,4:11,14-ジエピミノ-6,9:19,16:24,21-トリエピニトリロ-5,10,15,20,25-ペンタアザ-1,3,5,7,10,12,14,17,19,22,24-シクロペンタコサウンデカエン
  • 2,4:6,8:14,16:18,20-テトラ[1,2]ベンゼノ-10,12-(3,5-シクロヘキサジエン-1,2-ジイリデン)-1,3,5,7,9,11,13,15,17,19-デカアザ-1,4,6,8,13,15,17,19-シクロイコサオクタエン
  • 2,11,20,29,38,46,47,48,49,50-デカアザウンデカシクロ[37.6.1.13,10.112,19.121,28.130,37.04,9.013,18.022,27.031,36.040,45]ペンタコンタ-1,3,5,7,9,11,13,15,17,19(49),20,22,24,26,28,30(47),31,33,35,37,39(46),40,42,44-テトラコサエン
  • 2,11,20,29,38,46,47,48,49,50-decaazaundecacyclo[37.6.1.13,10.112,19.121,28.130,37.04,9.013,18.022,27.031,36.040,45]pentaconta-1,3,5,7,9,11,13,15,17,19(49),20,22,24,26,28,30(47),31,33,35,37,39(46),40,42,44-tetracosaene
Other name (2)：
  • 2,3:7,8:12,13:17,18:22,23-Penta[1,3]butadieno-1,4:11,14-diepimino-6,9:19,16:24,21-triepinitrilo-5,10,15,20,25-pentaaza-1,3,5,7,10,12,14,17,19,22,24-cyclopentacosaundecaene
  • 2,4:6,8:14,16:18,20-Tetra[1,2]benzeno-10,12-(3,5-cyclohexadiene-1,2-diylidene)-1,3,5,7,9,11,13,15,17,19-decaaza-1,4,6,8,13,15,17,19-cycloicosaoctaene
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