Chem
J-GLOBAL ID：200907027549923530   Nikkaji number：J2.160.314G

5,10,15-Tris(3,5-di-tert-butylphenyl)-20-(1-azulenyl)-21H,23H-porphyrin

5,10,15-トリス(3,5-ジ-tert-ブチルフェニル)-20-(1-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)47-34-44(35-48(40-47)68(4,5)6)63-55-26-28-57(73-55)64(45-36-49(69(7,8)9)41-50(37-45)70(10,11)12)59-30-32-61(75-59)66(54-25-24-43-22-20-19-21-23-53(43)54)62-33-31-60(76-62)65(58-29-27-56(63)74-58)46-38-51(71(13,14)15)42-52(39-46)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： PTRCYFOJVAIPEZ-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)/c1ccc5cccccc15)[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  (3)：
  • 5,10,15-トリス(3,5-ジ-tert-ブチルフェニル)-20-(1-アズレニル)-21H,23H-ポルフィリン
  • 2-(アズレン-1-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-1-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-(1-azulenyl)-21H,23H-porphyrin
Thsaurus map：
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