Chem
J-GLOBAL ID：200907000013872325   Nikkaji number：J2.160.313I

3-[10,15,20-Tris(3,5-di-tert-butylphenyl)-21H,23H-porphyrin-5-yl]azulene-1-carboxylic acid methyl ester

3-[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-イル]アズレン-1-カルボン酸メチル
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： C74H82N4O2
Molecular formula furigana： C74-H82-N4-O2
Molecular weight： 1059.496
InChI： InChI=1S/C74H82N4O2/c1-69(2,3)46-33-43(34-47(39-46)70(4,5)6)64-56-25-27-58(75-56)65(44-35-48(71(7,8)9)40-49(36-44)72(10,11)12)60-29-31-62(77-60)67(54-42-55(68(79)80-19)53-24-22-20-21-23-52(53)54)63-32-30-61(78-63)66(59-28-26-57(64)76-59)45-37-50(73(13,14)15)41-51(38-45)74(16,17)18/h20-42,75,78H,1-19H3/b64-56-,64-57-,65-58-,65-60-,66-59-,66-61-,67-62-,67-63-
InChI key： UJUMZSNHYUWPKA-UWVTXCIJSA-N
SMILES： COC(=O)c1cc(/C/2=c/3\cc/c(=C(/C4=N/C(=C(\c5ccc(/C(=C\6/C=CC2=N6)/c2cc(cc(c2)C(C)(C)C)C(C)(C)C)[nH]5)/c2cc(cc(c2)C(C)(C)C)C(C)(C)C)/C=C4)\c2cc(cc(c2)C(C)(C)C)C(C)(C)C)/[nH]3)c2cccccc12
Systematic name  (3)：
  • 3-[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-イル]アズレン-1-カルボン酸メチル
  • メチル 3-[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(24),4,6,8,10,12,14,16(22),17,19-ウンデカエン-2-イル]アズレン-1-カルボキシラート
  • methyl 3-[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(24),4,6,8,10,12,14,16(22),17,19-undecaen-2-yl]azulene-1-carboxylate
Other name (1)：
  • 3-[10,15,20-Tris(3,5-di-tert-butylphenyl)-21H,23H-porphyrin-5-yl]azulene-1-carboxylic acid methyl ester
Thsaurus map：
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