Chem
J-GLOBAL ID：200907046100073773   Nikkaji number：J1.511.536J

5-[4-(4-Hexyl-5-bromo-2-thienyl)-1,3-butadiynyl]-2,3,7,8,12,13,17,18-octaethyl-21H,23H-porphyrin

5-[4-(4-ヘキシル-5-ブロモ-2-チエニル)-1,3-ブタジイニル]-2,3,7,8,12,13,17,18-オクタエチル-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： C50H59BrN4S
Molecular formula furigana： C50-H59-BR-N4-S
Molecular weight： 828.010
InChI： InChI=1S/C50H59BrN4S/c1-10-19-20-21-24-31-27-32(56-50(31)51)25-22-23-26-41-48-39(17-8)37(15-6)46(54-48)29-44-35(13-4)33(11-2)42(52-44)28-43-34(12-3)36(14-5)45(53-43)30-47-38(16-7)40(18-9)49(41)55-47/h27-30,52,55H,10-21,24H2,1-9H3/b42-28-,43-28-,44-29-,45-30-,46-29-,47-30-,48-41-,49-41-
InChI key： GLYHUZFMVMDDRY-HFBCQWCJSA-N
SMILES： CCCCCCc1cc(sc1Br)C#CC#C/C/1=C\2/N=C(/C=c/3\[nH]/c(=C\C4=N/C(=C\c5[nH]c1c(CC)c5CC)/C(=C4CC)CC)/c(CC)c3CC)C(=C2CC)CC
Systematic name  (3)：
  • 5-[4-(4-ヘキシル-5-ブロモ-2-チエニル)-1,3-ブタジイニル]-2,3,7,8,12,13,17,18-オクタエチル-21H,23H-ポルフィリン
  • 2-[4-(5-ブロモ-4-ヘキシルチオフェン-2-イル)ブタ-1,3-ジイン-1-イル]-4,5,9,10,14,15,19,20-オクタエチル-21,22,23,24-テトラアザペンタシクロ[16.2.1.13,6.18,11.113,16]テトラコサ-1,3,5,7,9,11(23),12,14,16,18(21),19-ウンデカエン
  • 2-[4-(5-bromo-4-hexylthiophen-2-yl)buta-1,3-diyn-1-yl]-4,5,9,10,14,15,19,20-octaethyl-21,22,23,24-tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaene
Other name (1)：
  • 5-[4-(4-Hexyl-5-bromo-2-thienyl)-1,3-butadiynyl]-2,3,7,8,12,13,17,18-octaethyl-21H,23H-porphyrin
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM