Chem
J-GLOBAL ID:200907025024874276   Nikkaji number:J1.301.720D

5-(3-Formyl-1H-pyrrole-5-yl)-10,15,20-tris(2-formyl-1H-pyrrol-4-yl)-21H,23H-porphyrin

5-(3-ホルミル-1H-ピロール-5-イル)-10,15,20-トリス(2-ホルミル-1H-ピロール-4-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: C40H26N8O4
Molecular formula furigana: C40-H26-N8-O4
Molecular weight: 682.700
InChI: InChI=1S/C40H26N8O4/c49-17-21-9-36(44-13-21)40-34-7-5-32(47-34)38(23-11-26(19-51)42-15-23)30-3-1-28(45-30)37(22-10-25(18-50)41-14-22)29-2-4-31(46-29)39(33-6-8-35(40)48-33)24-12-27(20-52)43-16-24/h1-20,41-45,48H/b37-28-,37-29-,38-30-,38-32-,39-31-,39-33-,40-34+,40-35+
InChI key: JRONARUNJIKGOQ-SKXWJFHISA-N
SMILES: O=Cc1c[nH]c(c1)/C/1=c/2\cc/c(=C(/C3=N/C(=C(\c4ccc(/C(=C\5/C=CC1=N5)/c1c[nH]c(C=O)c1)[nH]4)/c1c[nH]c(C=O)c1)/C=C3)\c1c[nH]c(C=O)c1)/[nH]2
Systematic name  (3):
  • 5-(3-ホルミル-1H-ピロール-5-イル)-10,15,20-トリス(2-ホルミル-1H-ピロール-4-イル)-21H,23H-ポルフィリン
  • 5-[7,12,17-トリス(5-ホルミル-1H-ピロール-3-イル)-21,22,23,24-テトラアザペンタシクロ[16.2.1.13,6.18,11.113,16]テトラコサ-1,3(24),4,6,8,10,12,14,16(22),17,19-ウンデカエン-2-イル]-1H-ピロール-3-カルバルデヒド
  • 5-[7,12,17-tris(5-formyl-1H-pyrrol-3-yl)-21,22,23,24-tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),4,6,8,10,12,14,16(22),17,19-undecaen-2-yl]-1H-pyrrole-3-carbaldehyde
Other name (1):
  • 5-(3-Formyl-1H-pyrrole-5-yl)-10,15,20-tris(2-formyl-1H-pyrrol-4-yl)-21H,23H-porphyrin
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