Chem
J-GLOBAL ID：200907029165245316   Nikkaji number：J2.160.318J

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

5,10,15-トリス(3,5-ジ-tert-ブチルフェニル)-20-(5-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)64-57-27-25-55(73-57)63(45-24-20-22-43-21-19-23-44(43)33-45)56-26-28-58(74-56)65(47-36-51(69(7,8)9)41-52(37-47)70(10,11)12)60-30-32-62(76-60)66(61-31-29-59(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： PYHMKUREDGJULC-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)/c1cccc4cccc4c1)/C=C3)\c1cc(cc(c1)C(C)(C)C)C(C)(C)C)/[nH]2
Systematic name  (3)：
  • 5,10,15-トリス(3,5-ジ-tert-ブチルフェニル)-20-(5-アズレニル)-21H,23H-ポルフィリン
  • 2-(アズレン-5-イル)-7,12,17-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
  • 2-(azulen-5-yl)-7,12,17-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-(5-azulenyl)-21H,23H-porphyrin
Thsaurus map：
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