Chem
J-GLOBAL ID:200907055194365275
Nikkaji number:J2.168.944K
5-(3-Thienylethynyl)-15-(2,4-dinitrophenylethynyl)-10,20-diphenyl-21H,23H-porphyrin
5-(3-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
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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:
C46 H26 N4 [N+]2 O2 [O-]2 S
Molecular formula furigana:
C46-H26-N6-O4-S
Molecular weight:
758.810
InChI:
InChI=1S/C46H26N6O4S/c53-51(54)33-14-12-30(44(27-33)52(55)56)13-16-35-38-19-23-42(49-38)45(31-7-3-1-4-8-31)40-21-17-36(47-40)34(15-11-29-25-26-57-28-29)37-18-22-41(48-37)46(32-9-5-2-6-10-32)43-24-20-39(35)50-43/h1-10,12,14,17-28,47,50H/b36-34-,37-34-,38-35-,39-35-,45-40-,45-42-,46-41-,46-43-
InChI key:
SSSQPKUAXBHDNT-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#Cc2ccsc2)/C=C4)\c2ccccc2)/[nH]3)c(c1)[N+](=O)[O-]
Systematic name (3):
5-(3-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-3-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-3-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-(3-Thienylethynyl)-15-(2,4-dinitrophenylethynyl)-10,20-diphenyl-21H,23H-porphyrin
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