Chem
J-GLOBAL ID：201307079507886190   Nikkaji number：J3.215.194I

10,8,12-[Nitrilobis(4-methoxy-2,1-phenylene)]-5,15,20-tris(3,5-di-tert-butylphenyl)-21H,23H-porphyrin

10,8,12-[ニトリロビス(4-メトキシ-2,1-フェニレン)]-5,15,20-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： C76H83N5O2
Molecular formula furigana： C76-H83-N5-O2
Molecular weight： 1098.533
InChI： InChI=1S/C76H83N5O2/c1-71(2,3)45-29-42(30-46(35-45)72(4,5)6)65-57-25-27-59(77-57)66(43-31-47(73(7,8)9)36-48(32-43)74(10,11)12)61-40-55-53-23-21-51(82-19)38-63(53)81-64-39-52(83-20)22-24-54(64)56-41-62(80-69(56)70(81)68(55)79-61)67(60-28-26-58(65)78-60)44-33-49(75(13,14)15)37-50(34-44)76(16,17)18/h21-41,77,80H,1-20H3/b65-57-,65-58-,66-59-,66-61-,67-60-,67-62+
InChI key： KFKDJLNIOAOWAF-AJXKDUASSA-N
SMILES： COc1ccc2c3cc4nc3c3c5[nH]c(cc5c5ccc(OC)cc5n3c2c1)/C(=C\1/C=CC(=N1)/C(=c\1/cc/c(=C/4\c2cc(cc(c2)C(C)(C)C)C(C)(C)C)/[nH]1)/c1cc(cc(c1)C(C)(C)C)C(C)(C)C)/c1cc(cc(c1)C(C)(C)C)C(C)(C)C
Systematic name  (4)：
  • 5,15,20-トリス(3,5-ジ-tert-ブチルフェニル)-8,10,12-(8,11-ジメトキシ-1,2:4,5-ジ[1,3]ブタジエノ-3-アザ-1,4-ペンタジエン-1,3,5-トリイル)-21H,23H-ポルフィリン
  • 10,8,12-[ニトリロビス(4-メトキシ-2,1-フェニレン)]-5,15,20-トリス(3,5-ジ-tert-ブチルフェニル)-21H,23H-ポルフィリン
  • 20,25,30-トリス(3,5-ジ-tert-ブチルフェニル)-6,12-ジメトキシ-9,18,32,35,36-ペンタアザノナシクロ[15.15.1.12,31.116,19.121,24.126,29.03,8.09,33.010,15]ヘプタトリアコンタ-1,3,5,7,10,12,14,16(37),17(33),18,20,22,24,26(35),27,29,31(34)-ヘプタデカエン
  • 20,25,30-tris(3,5-di-tert-butylphenyl)-6,12-dimethoxy-9,18,32,35,36-pentaazanonacyclo[15.15.1.12,31.116,19.121,24.126,29.03,8.09,33.010,15]heptatriaconta-1,3,5,7,10,12,14,16(37),17(33),18,20,22,24,26(35),27,29,31(34)-heptadecaene
Other name (2)：
  • 5,15,20-Tris(3,5-di-tert-butylphenyl)-8,10,12-(8,11-dimethoxy-1,2:4,5-di[1,3]butadieno-3-aza-1,4-pentadiene-1,3,5-triyl)-21H,23H-porphyrin
  • 10,8,12-[Nitrilobis(4-methoxy-2,1-phenylene)]-5,15,20-tris(3,5-di-tert-butylphenyl)-21H,23H-porphyrin
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