Chem
J-GLOBAL ID：200907056370826531   Nikkaji number：J2.420.438C

5-[4-(2,3,7,8,12,13,17,18-Octaethyl-21H,23H-porphyrin-20-yl)-1,3-butadiynyl]-5′-nitro-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′-ニトロ-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： C60H73N4[N+]O[O-]S2
Molecular formula furigana： C60-H73-N5-O2-S2
Molecular weight： 960.400
InChI： InChI=1S/C60H73N5O2S2/c1-11-21-23-25-29-38-33-56(57-34-39(30-26-24-22-12-2)60(69-57)65(66)67)68-55(38)32-28-27-31-48-58-46(19-9)44(17-7)53(63-58)36-51-42(15-5)40(13-3)49(61-51)35-50-41(14-4)43(16-6)52(62-50)37-54-45(18-8)47(20-10)59(48)64-54/h33-37,61,64H,11-26,29-30H2,1-10H3/b49-35-,50-35-,51-36-,52-37-,53-36-,54-37-,58-48-,59-48-
InChI key： UYMAOGWIXBQPAN-SEBQOPQMSA-N
SMILES： CCCCCCc1cc(sc1C#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)c1cc(CCCCCC)c(s1)[N+](=O)[O-]
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′-ニトロ-4,4′-ジヘキシル-2,2′-ビチオフェン
  • 2-(4-{4,4'-ジヘキシル-5'-ニトロ-[2,2'-ビチオフェン]-5-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-{4,4'-dihexyl-5'-nitro-[2,2'-bithiophen]-5-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-(2,3,7,8,12,13,17,18-Octaethyl-21H,23H-porphyrin-20-yl)-1,3-butadiynyl]-5′-nitro-4,4′-dihexyl-2,2′-bithiophene
Thsaurus map：
Thesaurus Map

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