Chem
J-GLOBAL ID：200907011968617607   Nikkaji number：J1.232.579G

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

7,18-ジブチル-8,17-ジメチル-12,13-ジエチル-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： C40H48N4
Molecular formula furigana： C40-H48-N4
Molecular weight： 584.852
InChI： InChI=1S/C40H48N4/c1-7-11-13-29-23(5)31-19-33-27(9-3)28(10-4)34(43-33)20-32-24(6)30(14-12-8-2)36(42-32)22-38-40-26-17-15-25(16-18-26)39(40)37(44-38)21-35(29)41-31/h15,17,19-22,25-26,43-44H,7-14,16,18H2,1-6H3/b31-19-,32-20-,33-19-,34-20-,35-21-,36-22-,37-21-,38-22-
InChI key： SDTRWOJDXLSZFP-BYFHRMJYSA-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)/c(c4CC)CC)C(=C3CCCC)C)c2c1C1CCC2C=C1
Systematic name  (3)：
  • 7,18-ジブチル-8,17-ジメチル-12,13-ジエチル-2,3-(2-シクロヘキセン-1,4-ジイル)-21H,23H-ポルフィリン
  • 6,17-ジブチル-11,12-ジエチル-7,16-ジメチル-27,28,29,30-テトラアザヘプタシクロ[20.2.2.13,20.15,8.110,13.115,18.02,21]トリアコンタ-2,4,6,8(30),9,11,13,15(28),16,18,20,23-ドデカエン
  • 6,17-dibutyl-11,12-diethyl-7,16-dimethyl-27,28,29,30-tetraazaheptacyclo[20.2.2.13,20.15,8.110,13.115,18.02,21]triaconta-2,4,6,8(30),9,11,13,15(28),16,18,20,23-dodecaene
Other name (1)：
  • 7,18-Dibutyl-8,17-dimethyl-12,13-diethyl-2,3-(2-cyclohexene-1,4-diyl)-21H,23H-porphyrin
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