Chem
J-GLOBAL ID：200907058893567273   Nikkaji number：J445.840K

6,6′-Decamethylenedioxy[2,2′-decamethylenedioxy[1,1′-(3,7,13,17-tetrahexyl-2,8,12,18-tetramethyl-21H,23H-porphyrin-10,20-diyl)bisbenzene]]

6,6′-デカメチレンジオキシ[2,2′-デカメチレンジオキシ[1,1′-(3,7,13,17-テトラヘキシル-2,8,12,18-テトラメチル-21H,23H-ポルフィリン-10,20-ジイル)ビスベンゼン]]
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： C80H114N4O4
Molecular formula furigana： C80-H114-N4-O4
Molecular weight： 1195.816
InChI： InChI=1S/C80H114N4O4/c1-9-13-17-33-43-61-57(5)77-75-73-69-47-41-48-70(73)86-52-38-30-26-22-24-28-32-40-54-88-72-50-42-49-71(87-53-39-31-27-23-21-25-29-37-51-85-69)74(72)76(79-58(6)62(44-34-18-14-10-2)66(82-79)55-65(61)81-77)80-60(8)64(46-36-20-16-12-4)68(84-80)56-67-63(45-35-19-15-11-3)59(7)78(75)83-67/h41-42,47-50,55-56,81,84H,9-40,43-46,51-54H2,1-8H3/b65-55-,66-55-,67-56-,68-56-,77-75-,78-75-,79-76-,80-76-
InChI key： IQPOPUZCLRKGAC-KDGJMCGHSA-N
SMILES： CCCCCCC1=C(C)C2=N/C/1=C\c1[nH]c(c(C)c1CCCCCC)/C/1=C/3\N=C(/C=c/4\[nH]/c(=C\2/c2c5OCCCCCCCCCCOc6c1c(OCCCCCCCCCCOc2ccc5)ccc6)/c(c4CCCCCC)C)C(=C3C)CCCCCC
Systematic name  (5)：
  • 6,6′-デカメチレンジオキシ[2,2′-デカメチレンジオキシ[1,1′-(3,7,13,17-テトラヘキシル-2,8,12,18-テトラメチル-21H,23H-ポルフィリン-10,20-ジイル)ビスベンゼン]]
  • 35,36-(2,8,12,18-テトラメチル-3,7,13,17-テトラヘキシル-21H,23H-ポルフィリン-10,20-ジイル)-2,13,19,30-テトラオキサトリシクロ[29.3.1.114,18]ヘキサトリアコンタン-1(35),14,16,18(36),31,33-ヘキサエン
  • 2,8,12,18-テトラメチル-3,7,13,17-テトラヘキシル-10,20-(2,13,19,30-テトラオキサトリシクロ[29.3.1.114,18]ヘキサトリアコンタ-1(35),14,16,18(36),31,33-ヘキサエン-35,36-ジイル)-21H,23H-ポルフィリン
  • 27,31,50,54-テトラヘキシル-26,32,49,55-テトラメチル-6,17,36,47-テトラオキサ-57,58,59,60-テトラアザノナシクロ[20.13.12.924,34.125,28.130,33.05,35.018,23.148,51.153,56]ヘキサコンタ-1,3,5(35),18,20,22,24,26,28,30(57),31,33,48,50,52,54,56(59)-ヘプタデカエン
  • 27,31,50,54-tetrahexyl-26,32,49,55-tetramethyl-6,17,36,47-tetraoxa-57,58,59,60-tetraazanonacyclo[20.13.12.924,34.125,28.130,33.05,35.018,23.148,51.153,56]hexaconta-1,3,5(35),18,20,22,24,26,28,30(57),31,33,48,50,52,54,56(59)-heptadecaene
Other name (3)：
  • 2,8,12,18-Tetramethyl-3,7,13,17-tetrahexyl-10,20-(2,13,19,30-tetraoxatricyclo[29.3.1.114,18]hexatriaconta-1(35),14,16,18(36),31,33-hexene-35,36-diyl)-21H,23H-porphyrin
  • 6,6′-Decamethylenedioxy[2,2′-decamethylenedioxy[1,1′-(3,7,13,17-tetrahexyl-2,8,12,18-tetramethyl-21H,23H-porphyrin-10,20-diyl)bisbenzene]]
  • 35,36-(2,8,12,18-Tetramethyl-3,7,13,17-tetrahexyl-21H,23H-porphyrin-10,20-diyl)-2,13,19,30-tetraoxatricyclo[29.3.1.114,18]hexatriacontane-1(35),14,16,18(36),31,33-hexaene
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