Chem
J-GLOBAL ID：200907054419808361   Nikkaji number：J1.205.943D

2,3:12,13:17,18-Tris[1,3]butadieno-8,7-(1-aza-1,3-butadiene-1,4-diyl)-21H,23H-porphyrin

2,3:12,13:17,18-トリス[1,3]ブタジエノ-8,7-(1-アザ-1,3-ブタジエン-1,4-ジイル)-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： C35H21N5
Molecular formula furigana： C35-H21-N5
Molecular weight： 511.588
InChI： InChI=1S/C35H21N5/c1-2-9-21-20(8-1)27-16-29-22-10-3-4-11-23(22)31(38-29)18-33-26-14-7-15-36-35(26)34(40-33)19-32-25-13-6-5-12-24(25)30(39-32)17-28(21)37-27/h1-19,38-39H/b27-16-,28-17-,29-16-,30-17-,31-18-,32-19-,33-18-,34-19-
InChI key： VQUQVINYCDHWPU-JBHQNQLCSA-N
SMILES： c1ccc2C3=N/C(=C\c4[nH]c(/C=C/5\N=C(/C=c/6\[nH]/c(=C\3)/c3c6cccc3)c3c5cccn3)c3c4cccc3)/c2c1
Systematic name  (3)：
  • 2,3:12,13:17,18-トリス[1,3]ブタジエノ-8,7-(1-アザ-1,3-ブタジエン-1,4-ジイル)-21H,23H-ポルフィリン
  • 5,37,38,39,40-ペンタアザノナシクロ[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]テトラコンタ-1,3(40),4,6,8,10,12,14,16,18,20,22,24,26,28(38),29,31,33,35-ノナデカエン
  • 5,37,38,39,40-pentaazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4,6,8,10,12,14,16,18,20,22,24,26,28(38),29,31,33,35-nonadecaene
Other name (1)：
  • 2,3:12,13:17,18-Tris[1,3]butadieno-8,7-(1-aza-1,3-butadiene-1,4-diyl)-21H,23H-porphyrin
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