Chem
J-GLOBAL ID：200907069698204842   Nikkaji number：J2.168.945I

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

5-(2,4-ジアミノフェニルエチニル)-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： C48H30N6[N+]2O2[O-]2
Molecular formula furigana： C48-H30-N8-O4
Molecular weight： 782.820
InChI： InChI=1S/C48H30N8O4/c49-33-15-11-29(37(50)27-33)13-17-35-38-19-23-42(51-38)47(31-7-3-1-4-8-31)44-25-21-40(53-44)36(18-14-30-12-16-34(55(57)58)28-46(30)56(59)60)41-22-26-45(54-41)48(32-9-5-2-6-10-32)43-24-20-39(35)52-43/h1-12,15-16,19-28,51,54H,49-50H2/b38-35-,39-35-,40-36-,41-36-,47-42-,47-44-,48-43-,48-45-
InChI key： NGZPDISQRZVAOT-OBLCLYCRSA-N
SMILES： Nc1ccc(C#C/C/2=c/3\cc/c(=C(/C4=N/C(=C(\c5ccc(/C(=C\6/C=CC2=N6)/c2ccccc2)[nH]5)/C#Cc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])/C=C4)\c2ccccc2)/[nH]3)c(N)c1
Systematic name  (3)：
  • 5-(2,4-ジアミノフェニルエチニル)-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
  • 4-(2-{12-[2-(2,4-ジニトロフェニル)エチニル]-7,17-ジフェニル-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(24),4,6,8,10,12,14,16(22),17,19-ウンデカエン-2-イル}エチニル)ベンゼン-1,3-ジアミン
  • 4-(2-{12-[2-(2,4-dinitrophenyl)ethynyl]-7,17-diphenyl-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}ethynyl)benzene-1,3-diamine
Other name (1)：
  • 5-(2,4-Diaminophenylethynyl)-15-(2,4-dinitrophenylethynyl)-10,20-diphenyl-21H,23H-porphyrin
Thsaurus map：
Thesaurus Map

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