Chem
J-GLOBAL ID：200907056388472818   Nikkaji number：J1.205.942F

2,3:12,13:17,18-Tris[1,3]butadieno-7,8-etheno-21H,23H-porphyrin

2,3:12,13:17,18-トリス[1,3]ブタジエノ-7,8-エテノ-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： C34H20N4
Molecular formula furigana： C34-H20-N4
Molecular weight： 484.562
InChI： InChI=1S/C34H20N4/c1-2-8-20-19(7-1)27-15-29-21-9-3-5-11-23(21)31(36-29)17-33-25-13-14-26(25)34(38-33)18-32-24-12-6-4-10-22(24)30(37-32)16-28(20)35-27/h1-18,36-37H/b27-15-,28-16-,29-15-,30-16-,31-17-,32-18-,33-17-,34-18-
InChI key： FETVZKIIULRGHK-VALYCSIHSA-N
SMILES： C1=C2C(=C1)/C/1=C/c3[nH]c(/C=C/4\N=C(/C=c/5\[nH]/c(=C\C2=N1)/c1c5cccc1)c1c4cccc1)c1c3cccc1
Systematic name  (3)：
  • 2,3:12,13:17,18-トリス[1,3]ブタジエノ-7,8-エテノ-21H,23H-ポルフィリン
  • 35,36,37,38-テトラアザノナシクロ[26.6.1.13,8.110,17.119,26.04,7.011,16.020,25.029,34]オクタトリアコンタ-1,3(38),4,6,8,10,12,14,16,18,20,22,24,26(36),27,29,31,33-オクタデカエン
  • 35,36,37,38-tetraazanonacyclo[26.6.1.13,8.110,17.119,26.04,7.011,16.020,25.029,34]octatriaconta-1,3(38),4,6,8,10,12,14,16,18,20,22,24,26(36),27,29,31,33-octadecaene
Other name (1)：
  • 2,3:12,13:17,18-Tris[1,3]butadieno-7,8-etheno-21H,23H-porphyrin
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