Chem
J-GLOBAL ID：202007001653331481   Nikkaji number：J3.745.804J

5,16-ビス(1-フェネチルビニル)-3,4,5,14,15,16-ヘキサアザペンタシクロ[16.4.0.02,6.07,12.013,17]ドコサ-1(22),2(6),3,7,9,11,13(17),14,18,20-デカエン

5,16-ビス(1-フェネチルビニル)-3,4,5,14,15,16-ヘキサアザペンタシクロ[16.4.0.02,6.07,12.013,17]ドコサ-1(22),2(6),3,7,9,11,13(17),14,18,20-デカエン
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： C36H30N6
Molecular formula furigana： C36-H30-N6
Molecular weight： 546.678
InChI： InChI=1S/C36H30N6/c1-25(21-23-27-13-5-3-6-14-27)41-35-31-19-11-9-17-29(31)34-36(32-20-12-10-18-30(32)33(35)37-39-41)42(40-38-34)26(2)22-24-28-15-7-4-8-16-28/h3-20H,1-2,21-24H2/b33-30+,34-29+,35-31+,36-32+
InChI key： VPUUPJYQFFKEQC-UVFSWXOBSA-N
SMILES： c12c3nnn(c3c3ccccc3c3nnn(c3c1cccc2)C(=C)CCc1ccccc1)C(=C)CCc1ccccc1
Systematic name  (3)：
  • 5,16-ビス(1-フェネチルビニル)-3,4,5,14,15,16-ヘキサアザペンタシクロ[16.4.0.02,6.07,12.013,17]ドコサ-1(22),2(6),3,7,9,11,13(17),14,18,20-デカエン
  • 5,16-ビス(4-フェニルブタ-1-エン-2-イル)-3,4,5,14,15,16-ヘキサアザペンタシクロ[16.4.0.02,6.07,12.013,17]ドコサ-1(22),2(6),3,7,9,11,13(17),14,18,20-デカエン
  • 5,16-bis(4-phenylbut-1-en-2-yl)-3,4,5,14,15,16-hexaazapentacyclo[16.4.0.02,6.07,12.013,17]docosa-1(22),2(6),3,7,9,11,13(17),14,18,20-decaene
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