Chem
J-GLOBAL ID：200907073116815181   Nikkaji number：J1.090.592C

6,18-Dimethyl-3,20:9,15-bis(pyridine-2,6-diylbismethylene)-3,6,9,15,18,21,27,28-octaazatricyclo[21.3.1.110,14]octacosa-1(27),10,12,14(28),23,25-hexene

6,18-ジメチル-3,20:9,15-ビス(ピリジン-2,6-ジイルビスメチレン)-3,6,9,15,18,21,27,28-オクタアザトリシクロ[21.3.1.110,14]オクタコサ-1(27),10,12,14(28),23,25-ヘキサエン
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： C36H46N10
Molecular formula furigana： C36-H46-N10
Molecular weight： 618.834
InChI： InChI=1S/C36H46N10/c1-42-15-18-44-24-30-9-3-7-28(38-30)21-34(37-22-29-8-4-10-31(25-44)39-29)23-43(2)17-20-46-27-33-12-5-11-32(40-33)26-45(19-16-42)35-13-6-14-36(46)41-35/h3-14,34,37H,15-27H2,1-2H3
InChI key： YOTUFMHSPDMESZ-UHFFFAOYSA-N
SMILES： CN1CCN2Cc3cccc(CNC(CN(C)CCN4Cc5cccc(CN(CC1)c1cccc4n1)n5)Cc1cccc(C2)n1)n3
Systematic name  (3)：
  • 6,18-ジメチル-3,20:9,15-ビス(ピリジン-2,6-ジイルビスメチレン)-3,6,9,15,18,21,27,28-オクタアザトリシクロ[21.3.1.110,14]オクタコサ-1(27),10,12,14(28),23,25-ヘキサエン
  • 3,17-ジメチル-3,6,14,17,20,28,36,37,43,44-デカアザヘプタシクロ[18.8.7.56,14.18,12.122,26.130,34.138,42]テトラテトラコンタ-8,10,12(43),22,24,26(37),30,32,34(36),38,40,42(44)-ドデカエン
  • 3,17-dimethyl-3,6,14,17,20,28,36,37,43,44-decaazaheptacyclo[18.8.7.56,14.18,12.122,26.130,34.138,42]tetratetraconta-8,10,12(43),22,24,26(37),30,32,34(36),38,40,42(44)-dodecaene
Other name (1)：
  • 6,18-Dimethyl-3,20:9,15-bis(pyridine-2,6-diylbismethylene)-3,6,9,15,18,21,27,28-octaazatricyclo[21.3.1.110,14]octacosa-1(27),10,12,14(28),23,25-hexene
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