Chem
J-GLOBAL ID：200907012831950836   Nikkaji number：J2.168.946G

5-[4-(Dimethylamino)phenylethynyl]-15-(2,4-dinitrophenylethynyl)-10,20-diphenyl-21H,23H-porphyrin

5-[4-(ジメチルアミノ)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： C50H33N5[N+]2O2[O-]2
Molecular formula furigana： C50-H33-N7-O4
Molecular weight： 795.859
InChI： InChI=1S/C50H33N7O4/c1-55(2)36-18-13-32(14-19-36)15-21-38-40-23-27-44(51-40)49(34-9-5-3-6-10-34)46-29-25-42(53-46)39(22-17-33-16-20-37(56(58)59)31-48(33)57(60)61)43-26-30-47(54-43)50(35-11-7-4-8-12-35)45-28-24-41(38)52-45/h3-14,16,18-20,23-31,51,54H,1-2H3/b40-38-,41-38-,42-39-,43-39-,49-44-,49-46-,50-45-,50-47-
InChI key： RZTBYMZYMVLKEZ-VVGVOHSWSA-N
SMILES： CN(C)c1ccc(cc1)C#C/C/1=c/2\cc/c(=C(/C3=N/C(=C(\c4ccc(/C(=C\5/C=CC1=N5)/c1ccccc1)[nH]4)/C#Cc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])/C=C3)\c1ccccc1)/[nH]2
Systematic name  (3)：
  • 5-[4-(ジメチルアミノ)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)-N,N-ジメチルアニリン
  • 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)-N,N-dimethylaniline
Other name (1)：
  • 5-[4-(Dimethylamino)phenylethynyl]-15-(2,4-dinitrophenylethynyl)-10,20-diphenyl-21H,23H-porphyrin
Thsaurus map：
Thesaurus Map

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