Chem
J-GLOBAL ID：200907060912108565   Nikkaji number：J2.160.316C

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

5-ブロモ-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
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： C62H73BrN4
Molecular formula furigana： C62-H73-BR-N4
Molecular weight： 954.198
InChI： InChI=1S/C62H73BrN4/c1-57(2,3)39-27-36(28-40(33-39)58(4,5)6)53-45-19-21-47(64-45)54(37-29-41(59(7,8)9)34-42(30-37)60(10,11)12)49-23-25-51(66-49)56(63)52-26-24-50(67-52)55(48-22-20-46(53)65-48)38-31-43(61(13,14)15)35-44(32-38)62(16,17)18/h19-35,64,67H,1-18H3/b53-45-,53-46-,54-47-,54-49-,55-48-,55-50-,56-51+,56-52+
InChI key： NWILJVGNGCHUJC-VUURASSBSA-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)\Br)/[nH]2
Systematic name  (2)：
  • 5,10,15-トリス(3,5-ジ-tert-ブチルフェニル)-20-ブロモ-21H,23H-ポルフィリン
  • 5-ブロモ-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
Other name (2)：
  • 5,10,15-Tris(3,5-di-tert-butylphenyl)-20-bromo-21H,23H-porphyrin
  • 5-Bromo-10,15,20-tris(3,5-di-tert-butylphenyl)-21H,23H-porphyrin
Thsaurus map：
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