Chem
J-GLOBAL ID：201707004614354745   Nikkaji number：J3.579.438G

3-Nitro-17-bromo-5,10,15-tris(4-methylphenyl)corrole

3-ニトロ-17-ブロモ-5,10,15-トリス(4-メチルフェニル)コロール
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： C40H30BrN4[N+]O[O-]
Molecular formula furigana： C40-H30-BR-N5-O2
Molecular weight： 692.617
InChI： InChI=1S/C40H30BrN5O2/c1-22-4-10-25(11-5-22)36-29-16-18-31(42-29)37(26-12-6-23(2)7-13-26)39-28(41)20-33(44-39)34-21-35(46(47)48)40(45-34)38(32-19-17-30(36)43-32)27-14-8-24(3)9-15-27/h4-21,42-43,45H,1-3H3/b34-33-,36-29-,36-30-,37-31-,38-32-,39-37-,40-38-
InChI key： YGKHKCDKAPMDDM-ALOSUFOHSA-N
SMILES： Cc1ccc(cc1)/C/1=c/2\cc/c(=C(/c3c(cc(C4=N/C(=C(\c5ccc1[nH]5)/c1ccc(C)cc1)/C(=C4)Br)[nH]3)[N+](=O)[O-])\c1ccc(C)cc1)/[nH]2
Systematic name  (3)：
  • 3-ニトロ-17-ブロモ-5,10,15-トリス(4-メチルフェニル)コロール
  • 18-ブロモ-6,11,16-トリス(4-メチルフェニル)-4-ニトロ-20,21,22,23-テトラアザペンタシクロ[15.2.1.12,5.17,10.112,15]トリコサ-1(20),2,4,6,8,10,12,14,16,18-デカエン
  • 18-bromo-6,11,16-tris(4-methylphenyl)-4-nitro-20,21,22,23-tetraazapentacyclo[15.2.1.12,5.17,10.112,15]tricosa-1(20),2,4,6,8,10,12,14,16,18-decaene
Other name (1)：
  • 3-Nitro-17-bromo-5,10,15-tris(4-methylphenyl)corrole
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