Chem
J-GLOBAL ID：200907091185062142   Nikkaji number：J1.232.580K

7,18-Dibutyl-8,17-dimethyl-12,13-(2-cyclohexene-1,4-diyl)-[2,3-(2-cyclohexene-1,4-diyl)-21H,23H-porphyrin]

7,18-ジブチル-8,17-ジメチル-12,13-(2-シクロヘキセン-1,4-ジイル)-[2,3-(2-シクロヘキセン-1,4-ジイル)-21H,23H-ポルフィリン]
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： C42H46N4
Molecular formula furigana： C42-H46-N4
Molecular weight： 606.858
InChI： InChI=1S/C42H46N4/c1-5-7-9-29-23(3)31-19-35-39-25-11-13-26(14-12-25)40(39)36(45-35)20-32-24(4)30(10-8-6-2)34(44-32)22-38-42-28-17-15-27(16-18-28)41(42)37(46-38)21-33(29)43-31/h11,13,15,17,19-22,25-28,45-46H,5-10,12,14,16,18H2,1-4H3/b31-19-,32-20-,33-21-,34-22-,35-19-,36-20-,37-21-,38-22-
InChI key： ZUQTVTQRVPOZAN-DRTHJTEJSA-N
SMILES： CCCCC1=C(C)C2=N/C/1=C\c1[nH]c(/C=C/3\N=C(/C=c/4\[nH]/c(=C\2)/c2c4C4CCC2C=C4)C(=C3CCCC)C)c2c1C1CCC2C=C1
Systematic name  (3)：
  • 7,18-ジブチル-8,17-ジメチル-12,13-(2-シクロヘキセン-1,4-ジイル)-[2,3-(2-シクロヘキセン-1,4-ジイル)-21H,23H-ポルフィリン]
  • 6,21-ジブチル-7,20-ジメチル-31,32,33,36-テトラアザノナシクロ[24.2.2.212,15.13,24.15,8.110,17.119,22.02,25.011,16]ヘキサトリアコンタ-2,4,6,8(36),9,11(16),13,17,19(32),20,22,24,27-トリデカエン
  • 6,21-dibutyl-7,20-dimethyl-31,32,33,36-tetraazanonacyclo[24.2.2.212,15.13,24.15,8.110,17.119,22.02,25.011,16]hexatriaconta-2,4,6,8(36),9,11(16),13,17,19(32),20,22,24,27-tridecaene
Other name (1)：
  • 7,18-Dibutyl-8,17-dimethyl-12,13-(2-cyclohexene-1,4-diyl)-[2,3-(2-cyclohexene-1,4-diyl)-21H,23H-porphyrin]
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