Chem
J-GLOBAL ID：200907001161096527   Nikkaji number：J1.992.180H

5-(3-Pyridyl)-10,15,20-tris(3,5-di-tert-butylphenyl)-21H,23H-porphyrin

5-(3-ピリジル)-10,15,20-トリス(3,5-ジ-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： C67H77N5
Molecular formula furigana： C67-H77-N5
Molecular weight： 952.388
InChI： InChI=1S/C67H77N5/c1-62(2,3)44-30-41(31-45(36-44)63(4,5)6)59-52-23-21-50(69-52)58(40-20-19-29-68-39-40)51-22-24-53(70-51)60(42-32-46(64(7,8)9)37-47(33-42)65(10,11)12)55-26-28-57(72-55)61(56-27-25-54(59)71-56)43-34-48(66(13,14)15)38-49(35-43)67(16,17)18/h19-39,69,72H,1-18H3/b58-50-,58-51-,59-52-,59-54-,60-53-,60-55-,61-56-,61-57-
InChI key： KZTCRXQABUMONX-PFFRFRPKSA-N
SMILES： CC(C)(C)c1cc(cc(c1)C(C)(C)C)/C/1=c/2\cc/c(=C(/C3=N/C(=C(\c4ccc(/C(=C\5/C=CC1=N5)/c1cccnc1)[nH]4)/c1cc(cc(c1)C(C)(C)C)C(C)(C)C)/C=C3)\c1cc(cc(c1)C(C)(C)C)C(C)(C)C)/[nH]2
Systematic name  (4)：
  • 5-(3-ピリジル)-10,15,20-トリス(3,5-ジ-tert-ブチルフェニル)-21H,23H-ポルフィリン
  • 5,10,15-トリス(3,5-ジ-tert-ブチルフェニル)-20-(3-ピリジニル)-21H,23H-ポルフィリン
  • 2,12,17-トリス(3,5-ジ-tert-ブチルフェニル)-7-(ピリジン-3-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(3,5-di-tert-butylphenyl)-7-(pyridin-3-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 (2)：
  • 5-(3-Pyridyl)-10,15,20-tris(3,5-di-tert-butylphenyl)-21H,23H-porphyrin
  • 5,10,15-Tris(3,5-di-tert-butylphenyl)-20-(3-pyridinyl)-21H,23H-porphyrin
Thsaurus map：
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