Chem
J-GLOBAL ID:200907074575709927   Nikkaji number:J2.469.741J

24,74,124,174-Tetrakis(1-isopropyl-2-methylpropyloxy)-21-(hydroxymethyl)phthalocyanine

24,74,124,174-テトラキス(1-イソプロピル-2-メチルプロピルオキシ)-21-(ヒドロキシメチル)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: C61H76N8O5
Molecular formula furigana: C61-H76-N8-O5
Molecular weight: 1001.330
InChI: InChI=1S/C61H76N8O5/c1-29(2)50(30(3)4)71-41-23-17-20-38-46(41)58-62-54(38)63-59-47-39(21-18-24-42(47)72-51(31(5)6)32(7)8)56(65-59)67-61-49-44(74-53(35(13)14)36(15)16)27-26-37(28-70)45(49)57(69-61)68-60-48-40(55(64-58)66-60)22-19-25-43(48)73-52(33(9)10)34(11)12/h17-27,29-36,50-53,70H,28H2,1-16H3,(H2,62,63,64,65,66,67,68,69)
InChI key: AJBGDIBJSLRQFJ-UHFFFAOYSA-N
SMILES: CC(C)C(Oc1cccc2/C/3=N/c4[nH]c(/N=C/5\N=C(/N=c/6\[nH]/c(=N\C(=N3)c12)/c1c6c(OC(C(C)C)C(C)C)ccc1)c1c5c(OC(C(C)C)C(C)C)ccc1)c1c4c(OC(C(C)C)C(C)C)ccc1CO)C(C)C
Systematic name  (3):
  • 24,74,124,174-テトラキス(1-イソプロピル-2-メチルプロピルオキシ)-21-(ヒドロキシメチル)フタロシアニン
  • {8,17,26,35-テトラキス[(2,4-ジメチルペンタン-3-イル)オキシ]-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-5-イル}メタノール
  • {8,17,26,35-tetrakis[(2,4-dimethylpentan-3-yl)oxy]-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-nonadecaen-5-yl}methanol
Other name (1):
  • 24,74,124,174-Tetrakis(1-isopropyl-2-methylpropyloxy)-21-(hydroxymethyl)phthalocyanine
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