Chem
J-GLOBAL ID：200907096159792649   Nikkaji number：J1.385.338J

5-(2-Pyridyl)-10,15,20-tris(4-tert-butylphenyl)-21H,23H-porphyrin

5-(2-ピリジル)-10,15,20-トリス(4-tert-ブチルフェニル)-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： C55H53N5
Molecular formula furigana： C55-H53-N5
Molecular weight： 784.064
InChI： InChI=1S/C55H53N5/c1-53(2,3)37-19-13-34(14-20-37)49-41-25-27-43(57-41)50(35-15-21-38(22-16-35)54(4,5)6)45-29-31-47(59-45)52(40-12-10-11-33-56-40)48-32-30-46(60-48)51(44-28-26-42(49)58-44)36-17-23-39(24-18-36)55(7,8)9/h10-33,57,60H,1-9H3/b49-41-,49-42-,50-43-,50-45-,51-44-,51-46-,52-47-,52-48-
InChI key： DEQKTDRDWGBPHS-RCOMQYLTSA-N
SMILES： CC(C)(C)c1ccc(cc1)/C/1=c/2\cc/c(=C(/C3=N/C(=C(\c4ccc(/C(=C\5/C=CC1=N5)/c1ccc(cc1)C(C)(C)C)[nH]4)/c1ccccn1)/C=C3)\c1ccc(cc1)C(C)(C)C)/[nH]2
Systematic name  (5)：
  • 5-(2-ピリジル)-10,15,20-トリス(4-tert-ブチルフェニル)-21H,23H-ポルフィリン
  • 5,10,15-トリス(4-tert-ブチルフェニル)-20-(2-ピリジニル)-21H,23H-ポルフィリン
  • 5-(2-ピリジニル)-15,10,20-トリス(4-tert-ブチルフェニル)-21H,23H-ポルフィリン
  • 2,12,17-トリス(4-tert-ブチルフェニル)-7-(ピリジン-2-イル)-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
  • 2,12,17-tris(4-tert-butylphenyl)-7-(pyridin-2-yl)-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 (3)：
  • 5-(2-Pyridyl)-10,15,20-tris(4-tert-butylphenyl)-21H,23H-porphyrin
  • 5,10,15-Tris(4-tert-butylphenyl)-20-(2-pyridinyl)-21H,23H-porphyrin
  • 5-(2-Pyridinyl)-15,10,20-tris(4-tert-butylphenyl)-21H,23H-porphyrin
Thsaurus map：
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