Chem
J-GLOBAL ID：201207011550194250   Nikkaji number：J3.005.901H

5,10,15-Tris(phenylethynyl)-20-phenyl-21H,23H-porphyrin

5,10,15-トリス(フェニルエチニル)-20-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： C50H30N4
Molecular formula furigana： C50-H30-N4
Molecular weight： 686.818
InChI： InChI=1S/C50H30N4/c1-5-13-35(14-6-1)21-24-39-42-27-29-44(51-42)40(25-22-36-15-7-2-8-16-36)46-31-33-48(53-46)50(38-19-11-4-12-20-38)49-34-32-47(54-49)41(45-30-28-43(39)52-45)26-23-37-17-9-3-10-18-37/h1-20,27-34,51,54H/b42-39-,43-39-,44-40-,45-41-,46-40-,47-41-,50-48-,50-49-
InChI key： AHFMJTSMNXOFAP-CJQVFUHKSA-N
SMILES： C1=CC2=N/C/1=C(/C#Cc1ccccc1)\c1ccc([nH]1)/C(=C\1/C=CC(=N1)/C(=c\1/cc/c(=C/2\C#Cc2ccccc2)/[nH]1)/c1ccccc1)/C#Cc1ccccc1
Systematic name  (3)：
  • 5,10,15-トリス(フェニルエチニル)-20-フェニル-21H,23H-ポルフィリン
  • 12-フェニル-2,7,17-トリス(2-フェニルエチニル)-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-phenyl-2,7,17-tris(2-phenylethynyl)-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)：
  • 5,10,15-Tris(phenylethynyl)-20-phenyl-21H,23H-porphyrin
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