Chem
J-GLOBAL ID：200907096698105566   Nikkaji number：J2.420.437E

5-[4-(2,3,7,8,12,13,17,18-Octaethyl-21H,23H-porphyrin-20-yl)-1,3-butadiynyl]-5′-formyl-4,4′-dihexyl-2,2′-bithiophene

5-[4-(2,3,7,8,12,13,17,18-オクタエチル-21H,23H-ポルフィリン-20-イル)-1,3-ブタジイニル]-5′-ホルミル-4,4′-ジヘキシル-2,2′-ビチオフェン
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： C61H74N4OS2
Molecular formula furigana： C61-H74-N4-O-S2
Molecular weight： 943.410
InChI： InChI=1S/C61H74N4OS2/c1-11-21-23-25-29-39-33-57(58-34-40(59(38-66)68-58)30-26-24-22-12-2)67-56(39)32-28-27-31-49-60-47(19-9)45(17-7)54(64-60)36-52-43(15-5)41(13-3)50(62-52)35-51-42(14-4)44(16-6)53(63-51)37-55-46(18-8)48(20-10)61(49)65-55/h33-38,62,65H,11-26,29-30H2,1-10H3/b50-35-,51-35-,52-36-,53-37-,54-36-,55-37-,60-49-,61-49-
InChI key： QECYFAZXEKRCRA-HFKLXRORSA-N
SMILES： CCCCCCc1cc(sc1C=O)c1cc(CCCCCC)c(s1)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-(2,3,7,8,12,13,17,18-オクタエチル-21H,23H-ポルフィリン-20-イル)-1,3-ブタジイニル]-5′-ホルミル-4,4′-ジヘキシル-2,2′-ビチオフェン
  • 4,4'-ジヘキシル-5'-(4-{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-イル}ブタ-1,3-ジイン-1-イル)-[2,2'-ビチオフェン]-5-カルバルデヒド
  • 4,4'-dihexyl-5'-(4-{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-undecaen-2-yl}buta-1,3-diyn-1-yl)-[2,2'-bithiophene]-5-carbaldehyde
Other name (1)：
  • 5-[4-(2,3,7,8,12,13,17,18-Octaethyl-21H,23H-porphyrin-20-yl)-1,3-butadiynyl]-5′-formyl-4,4′-dihexyl-2,2′-bithiophene
Thsaurus map：
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