Chem
J-GLOBAL ID：200907071958460656   Nikkaji number：J1.435.564B

22,72,122,172-Tetra(o-tolyl)phthalocyanine

22,72,122,172-テトラ(o-トリル)フタロシアニン
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： C60H42N8
Molecular formula furigana： C60-H42-N8
Molecular weight： 875.052
InChI： InChI=1S/C60H42N8/c1-33-13-5-9-17-41(33)37-21-25-45-49(29-37)57-61-53(45)66-58-51-31-39(43-19-11-7-15-35(43)3)23-27-47(51)55(63-58)68-60-52-32-40(44-20-12-8-16-36(44)4)24-28-48(52)56(64-60)67-59-50-30-38(42-18-10-6-14-34(42)2)22-26-46(50)54(62-59)65-57/h5-32H,1-4H3,(H2,61,62,63,64,65,66,67,68)
InChI key： BLLRBVHFTSQHCX-UHFFFAOYSA-N
SMILES： Cc1ccccc1c1ccc2/C/3=N/c4[nH]c(/N=C/5\N=C(/N=c/6\[nH]/c(=N\C(=N3)c2c1)/c1c6cc(cc1)c1ccccc1C)c1c5cc(cc1)c1ccccc1C)c1c4cc(cc1)c1ccccc1C
Systematic name  (4)：
  • 22,72,122,172-テトラ(o-トリル)フタロシアニン
  • 23,73,123,173-テトラキス(2-メチルフェニル)フタロシアニン
  • 6,15,24,33-テトラキス(2-メチルフェニル)-2,11,20,29,37,38,39,40-オクタアザノナシクロ[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]テトラコンタ-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-ノナデカエン
  • 6,15,24,33-tetrakis(2-methylphenyl)-2,11,20,29,37,38,39,40-octaazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene
Other name (2)：
  • 23,73,123,173-Tetrakis(2-methylphenyl)phthalocyanine
  • 22,72,122,172-Tetra(o-tolyl)phthalocyanine
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