Chem
J-GLOBAL ID：202007013589519208   Nikkaji number：J3.745.805H

5,16-ビス[(Z)-1,2-ジフェニルビニル]-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[(Z)-1,2-ジフェニルビニル]-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： C44H30N6
Molecular formula furigana： C44-H30-N6
Molecular weight： 642.766
InChI： InChI=1S/C44H30N6/c1-5-17-31(18-6-1)29-39(33-21-9-3-10-22-33)49-43-37-27-15-13-25-35(37)42-44(38-28-16-14-26-36(38)41(43)45-47-49)50(48-46-42)40(34-23-11-4-12-24-34)30-32-19-7-2-8-20-32/h1-30H/b39-29-,40-30-,41-36+,42-35+,43-37+,44-38+
InChI key： VPJCMDQGBKBKJV-ZSPQVGSESA-N
SMILES： c12c3nnn(c3c3ccccc3c3nnn(c3c1cccc2)/C(=C\c1ccccc1)/c1ccccc1)/C(=C\c1ccccc1)/c1ccccc1
Systematic name  (3)：
  • 5,16-ビス[(Z)-1,2-ジフェニルビニル]-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[(1Z)-1,2-ジフェニルエテニル]-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-bis[(1Z)-1,2-diphenylethenyl]-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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