Chem
J-GLOBAL ID：200907068215133854   Nikkaji number：J2.168.943B

5-(2-Thienylethynyl)-15-(2,4-dinitrophenylethynyl)-10,20-diphenyl-21H,23H-porphyrin

5-(2-チエニルエチニル)-15-(2,4-ジニトロフェニルエチニル)-10,20-ジフェニル-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： C46H26N4[N+]2O2[O-]2S
Molecular formula furigana： C46-H26-N6-O4-S
Molecular weight： 758.810
InChI： InChI=1S/C46H26N6O4S/c53-51(54)32-15-13-29(44(28-32)52(55)56)14-17-34-36-19-23-40(47-36)45(30-8-3-1-4-9-30)42-25-21-38(49-42)35(18-16-33-12-7-27-57-33)39-22-26-43(50-39)46(31-10-5-2-6-11-31)41-24-20-37(34)48-41/h1-13,15,19-28,47,50H/b36-34-,37-34-,38-35-,39-35-,45-40-,45-42-,46-41-,46-43-
InChI key： DAECNRJXZZHMET-APWJBZFHSA-N
SMILES： [O-][N+](=O)c1ccc(C#C/C/2=c/3\cc/c(=C(/C4=N/C(=C(\c5ccc(/C(=C\6/C=CC2=N6)/c2ccccc2)[nH]5)/C#Cc2cccs2)/C=C4)\c2ccccc2)/[nH]3)c(c1)[N+](=O)[O-]
Systematic name  (3)：
  • 5-(2-チエニルエチニル)-15-(2,4-ジニトロフェニルエチニル)-10,20-ジフェニル-21H,23H-ポルフィリン
  • 12-[2-(2,4-ジニトロフェニル)エチニル]-7,17-ジフェニル-2-[2-(チオフェン-2-イル)エチニル]-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-1,3,5,7,9,11(23),12,14,16,18(21),19-ウンデカエン
  • 12-[2-(2,4-dinitrophenyl)ethynyl]-7,17-diphenyl-2-[2-(thiophen-2-yl)ethynyl]-21,22,23,24-tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaene
Other name (1)：
  • 5-(2-Thienylethynyl)-15-(2,4-dinitrophenylethynyl)-10,20-diphenyl-21H,23H-porphyrin
Thsaurus map：
Thesaurus Map

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