Chem
J-GLOBAL ID：200907096081816546   Nikkaji number：J2.160.315E

5,10,15-Tris(3,5-di-tert-butylphenyl)-20-(2-azulenyl)-21H,23H-porphyrin

5,10,15-トリス(3,5-ジ-tert-ブチルフェニル)-20-(2-アズレニル)-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： C72H80N4
Molecular formula furigana： C72-H80-N4
Molecular weight： 1001.460
InChI： InChI=1S/C72H80N4/c1-67(2,3)49-34-46(35-50(40-49)68(4,5)6)64-57-26-24-55(73-57)63(45-32-43-22-20-19-21-23-44(43)33-45)56-25-27-58(74-56)65(47-36-51(69(7,8)9)41-52(37-47)70(10,11)12)60-29-31-62(76-60)66(61-30-28-59(64)75-61)48-38-53(71(13,14)15)42-54(39-48)72(16,17)18/h19-42,73,76H,1-18H3/b63-55-,63-56-,64-57-,64-59-,65-58-,65-60-,66-61-,66-62-
InChI key： GKDLONQKOXQZJM-VGWCJLMFSA-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)/c1cc(cc(c1)C(C)(C)C)C(C)(C)C)[nH]4)/c1cc(cc(c1)C(C)(C)C)C(C)(C)C)/C=C3)\c1cc3cccccc3c1)/[nH]2
Systematic name  (3)：
  • 5,10,15-トリス(3,5-ジ-tert-ブチルフェニル)-20-(2-アズレニル)-21H,23H-ポルフィリン
  • 12-(アズレン-2-イル)-2,7,17-トリス(3,5-ジ-tert-ブチルフェニル)-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-(azulen-2-yl)-2,7,17-tris(3,5-di-tert-butylphenyl)-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(3,5-di-tert-butylphenyl)-20-(2-azulenyl)-21H,23H-porphyrin
Thsaurus map：
Thesaurus Map

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