Chem
J-GLOBAL ID:200907045145768903
Nikkaji number:J1.435.566I
22 ,72 ,122 ,172 -Tetra(p-tolyl)phthalocyanine
22 ,72 ,122 ,172 -テトラ(p-トリル)フタロシアニン
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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:
C60 H42 N8
Molecular formula furigana:
C60-H42-N8
Molecular weight:
875.052
InChI:
InChI=1S/C60H42N8/c1-33-5-13-37(14-6-33)41-21-25-45-49(29-41)57-61-53(45)66-58-51-31-43(39-17-9-35(3)10-18-39)23-27-47(51)55(63-58)68-60-52-32-44(40-19-11-36(4)12-20-40)24-28-48(52)56(64-60)67-59-50-30-42(38-15-7-34(2)8-16-38)22-26-46(50)54(62-59)65-57/h5-32H,1-4H3,(H2,61,62,63,64,65,66,67,68)
InChI key:
JLZKQIWMKRMLMD-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)c1ccc2/C/3=N/c4[nH]c(/N=C/5\N=C(/N=c/6\[nH]/c(=N\C(=N3)c2c1)/c1c6cc(cc1)c1ccc(C)cc1)c1c5cc(cc1)c1ccc(C)cc1)c1c4cc(cc1)c1ccc(C)cc1
Systematic name (4):
22 ,72 ,122 ,172 -テトラ(p-トリル)フタロシアニン
23 ,73 ,123 ,173 -テトラキス(4-メチルフェニル)フタロシアニン
6,15,24,33-テトラキス(4-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(4-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(4-methylphenyl)phthalocyanine
22 ,72 ,122 ,172 -Tetra(p-tolyl)phthalocyanine
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