Chem
J-GLOBAL ID:200907049260257977   Nikkaji number:J2.386.527K

5,10,15,20-Tetraphenyl-8,13-dinitro-26,27-(1,3-butadiene-1,4-diyl)-7,8-[2]buteno-7,8-dihydro-21H,23H-porphyrin

5,10,15,20-テトラフェニル-8,13-ジニトロ-26,27-(1,3-ブタジエン-1,4-ジイル)-7,8-[2]ブテノ-7,8-ジヒドロ-21H,23H-ポルフィリン
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: C52H36N4[N+]2O2[O-]2
Molecular formula furigana: C52-H36-N6-O4
Molecular weight: 808.898
InChI: InChI=1S/C52H36N6O4/c59-57(60)44-30-43-48(35-21-11-4-12-22-35)51-52(58(61)62)31-37-24-14-13-23-36(37)29-38(52)49(56-51)46(33-17-7-2-8-18-33)41-27-25-39(53-41)45(32-15-5-1-6-16-32)40-26-28-42(54-40)47(50(44)55-43)34-19-9-3-10-20-34/h1-28,30,38,53,55H,29,31H2/b45-39-,45-40-,46-41-,47-42-,48-43-,49-46-,50-47-,51-48-
InChI key: WCYPKCXABHWYET-FUOMSLLXSA-N
SMILES: [O-][N+](=O)c1cc2[nH]c1/C(=C\1/C=CC(=N1)/C(=c\1/cc/c(=C(/C3=N/C(=C\2/c2ccccc2)/C2(Cc4ccccc4CC32)[N+](=O)[O-])\c2ccccc2)/[nH]1)/c1ccccc1)/c1ccccc1
Systematic name  (3):
  • 5,10,15,20-テトラフェニル-8,13-ジニトロ-26,27-(1,3-ブタジエン-1,4-ジイル)-7,8-[2]ブテノ-7,8-ジヒドロ-21H,23H-ポルフィリン
  • 5,28-ジニトロ-2,7,12,17-テトラフェニル-29,30,31,32-テトラアザヘプタシクロ[16.10.1.13,6.18,11.113,16.019,28.021,26]ドトリアコンタ-1,3,5,7,9,11(31),12,14,16,18(29),21,23,25-トリデカエン
  • 5,28-dinitro-2,7,12,17-tetraphenyl-29,30,31,32-tetraazaheptacyclo[16.10.1.13,6.18,11.113,16.019,28.021,26]dotriaconta-1,3,5,7,9,11(31),12,14,16,18(29),21,23,25-tridecaene
Other name (1):
  • 5,10,15,20-Tetraphenyl-8,13-dinitro-26,27-(1,3-butadiene-1,4-diyl)-7,8-[2]buteno-7,8-dihydro-21H,23H-porphyrin
Thsaurus map:

Return to Previous Page