Chem
J-GLOBAL ID：201907007012041766   Nikkaji number：J3.731.743H

5,10,15,20-テトラフェニル-23-(2-ピリジルチオ)-23-カルバ-12-アザ-21H,23H-ポルフィリン

5,10,15,20-テトラフェニル-23-(2-ピリジルチオ)-23-カルバ-12-アザ-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： C49H33N5S
Molecular formula furigana： C49-H33-N5-S
Molecular weight： 723.900
InChI： InChI=1S/C49H33N5S/c1-5-15-32(16-6-1)44-36-31-51-48(49(36)55-43-23-13-14-30-50-43)47(35-21-11-4-12-22-35)42-29-28-41(54-42)46(34-19-9-3-10-20-34)40-27-26-39(53-40)45(33-17-7-2-8-18-33)38-25-24-37(44)52-38/h1-31,49,53H/b44-36-,44-37-,45-38-,45-39-,46-40-,46-41-,47-42-,48-47+
InChI key： CTWSIAJDYGYRAQ-XXWYQDMXSA-N
SMILES： C1=C/C/2=C(/C3=CN=C(/C(=C\4/C=CC(=N4)/C(=c\4/cc/c(=C(/C1=N2)\c1ccccc1)/[nH]4)/c1ccccc1)/c1ccccc1)C3Sc1ncccc1)\c1ccccc1
Systematic name  (3)：
  • 5,10,15,20-テトラフェニル-23-(2-ピリジルチオ)-23-カルバ-12-アザ-21H,23H-ポルフィリン
  • (1Z,7Z,12Z,16Z)-2,7,12,17-テトラフェニル-24-(ピリジン-2-イルスルファニル)-4,21,22,23-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
  • (1Z,7Z,12Z,16Z)-2,7,12,17-tetraphenyl-24-(pyridin-2-ylsulfanyl)-4,21,22,23-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
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