Chem
J-GLOBAL ID：200907041021859182   Nikkaji number：J943.476C

5,5,11,11,17,17,23,23-Octamethyl-7,9,13,15,19,21-hexachloro-1,4-epimino-6,10:12,16:18,22-triepinitrilocyclotricosa-1,3,6,8,12,14,18,20-octene

5,5,11,11,17,17,23,23-オクタメチル-7,9,13,15,19,21-ヘキサクロロ-1,4-エピミノ-6,10:12,16:18,22-トリエピニトリロシクロトリコサ-1,3,6,8,12,14,18,20-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： C31H30Cl6N4
Molecular formula furigana： C31-H30-CL6-N4
Molecular weight： 671.310
InChI： InChI=1S/C31H30Cl6N4/c1-28(2)20-9-10-21(38-20)29(3,4)23-15(33)12-17(35)25(40-23)31(7,8)27-19(37)13-18(36)26(41-27)30(5,6)24-16(34)11-14(32)22(28)39-24/h9-13,38H,1-8H3
InChI key： KDDIAYMVYGHZSD-UHFFFAOYSA-N
SMILES： CC1(C)c2ccc([nH]2)C(C)(C)c2nc(c(Cl)cc2Cl)C(C)(C)c2nc(c(Cl)cc2Cl)C(C)(C)c2nc1c(Cl)cc2Cl
Systematic name  (3)：
  • 5,5,11,11,17,17,23,23-オクタメチル-7,9,13,15,19,21-ヘキサクロロ-1,4-エピミノ-6,10:12,16:18,22-トリエピニトリロシクロトリコサ-1,3,6,8,12,14,18,20-オクタエン
  • 9,11,15,17,21,23-ヘキサクロロ-2,2,7,7,13,13,19,19-オクタメチル-24,25,26,27-テトラアザペンタシクロ[18.3.1.13,6.18,12.114,18]ヘプタコサ-1(24),3,5,8,10,12(26),14,16,18(25),20,22-ウンデカエン
  • 9,11,15,17,21,23-hexachloro-2,2,7,7,13,13,19,19-octamethyl-24,25,26,27-tetraazapentacyclo[18.3.1.13,6.18,12.114,18]heptacosa-1(24),3,5,8,10,12(26),14,16,18(25),20,22-undecaene
Other name (1)：
  • 5,5,11,11,17,17,23,23-Octamethyl-7,9,13,15,19,21-hexachloro-1,4-epimino-6,10:12,16:18,22-triepinitrilocyclotricosa-1,3,6,8,12,14,18,20-octene
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