Chem
J-GLOBAL ID:200907026839766040   Nikkaji number:J2.383.099J

5,10,15,20-Tetraphenyl-7,8:17,18-di[1,3]butadieno-21H,23H-porphyrin

5,10,15,20-テトラフェニル-7,8:17,18-ジ[1,3]ブタジエノ-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: C52H34N4
Molecular formula furigana: C52-H34-N4
Molecular weight: 714.872
InChI: InChI=1S/C52H34N4/c1-5-17-33(18-6-1)45-41-29-30-42(53-41)46(34-19-7-2-8-20-34)51-39-27-15-16-28-40(39)52(56-51)48(36-23-11-4-12-24-36)44-32-31-43(54-44)47(35-21-9-3-10-22-35)50-38-26-14-13-25-37(38)49(45)55-50/h1-32,53-54H/b45-41-,46-42-,47-43-,48-44-,49-45-,50-47-,51-46-,52-48-
InChI key: ZKPLSZDRKJCHRO-GHIARWMKSA-N
SMILES: c1cc2[nH]c1/C(=C/1\N=C(/C(=c\3/cc/c(=C(\c4ccccc4)/C4=N/C(=C\2/c2ccccc2)/c2ccccc42)/[nH]3)/c2ccccc2)c2ccccc12)/c1ccccc1
Systematic name  (3):
  • 5,10,15,20-テトラフェニル-7,8:17,18-ジ[1,3]ブタジエノ-21H,23H-ポルフィリン
  • 2,7,16,21-テトラフェニル-29,30,31,32-テトラアザヘプタシクロ[20.6.1.13,6.18,15.117,20.09,14.023,28]ドトリアコンタ-1,3,5,7,9,11,13,15(31),16,18,20,22(29),23,25,27-ペンタデカエン
  • 2,7,16,21-tetraphenyl-29,30,31,32-tetraazaheptacyclo[20.6.1.13,6.18,15.117,20.09,14.023,28]dotriaconta-1,3,5,7,9,11,13,15(31),16,18,20,22(29),23,25,27-pentadecaene
Other name (1):
  • 5,10,15,20-Tetraphenyl-7,8:17,18-di[1,3]butadieno-21H,23H-porphyrin
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