Chem
J-GLOBAL ID：200907081813775140
Nikkaji number：J1.940.713F
3,3′-Dihexyl-5-(trimethylsilylethynyl)-5′-[4-(2,3,7,8,12,13,17,18-octaethyl-21H,23H-porphyrin-5-yl)-1,3-butadiynyl]-2,2′-bithiophene
3,3′-ジヘキシル-5-(トリメチルシリルエチニル)-5′-[4-(2,3,7,8,12,13,17,18-オクタエチル-21H,23H-ポルフィリン-5-イル)-1,3-ブタジイニル]-2,2′-ビチオフェン
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
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
Molecular formula： C65H82N4S2Si
Molecular formula furigana： C65-H82-N4-S2-SI
Molecular weight： 1011.600
InChI：
InChI=1S/C65H82N4S2Si/c1-14-24-26-28-32-43-38-45(70-64(43)65-44(33-29-27-25-15-2)39-46(71-65)36-37-72(11,12)13)34-30-31-35-55-62-53(22-9)51(20-7)60(68-62)41-58-49(18-5)47(16-3)56(66-58)40-57-48(17-4)50(19-6)59(67-57)42-61-52(21-8)54(23-10)63(55)69-61/h38-42,66,69H,14-29,32-33H2,1-13H3/b56-40-,57-40-,58-41-,59-42-,60-41-,61-42-,62-55-,63-55-
InChI key：
GWJWXDDNKJVNFY-NEDGFUJQSA-N
SMILES：
CCCCCCc1cc(sc1c1sc(cc1CCCCCC)C#C[Si](C)(C)C)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)：
- 3,3′-ジヘキシル-5-(トリメチルシリルエチニル)-5′-[4-(2,3,7,8,12,13,17,18-オクタエチル-21H,23H-ポルフィリン-5-イル)-1,3-ブタジイニル]-2,2′-ビチオフェン
- 2-(4-{3,3'-ジヘキシル-5'-[2-(トリメチルシリル)エチニル]-[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-{3,3'-dihexyl-5'-[2-(trimethylsilyl)ethynyl]-[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
- 3,3′-Dihexyl-5-(trimethylsilylethynyl)-5′-[4-(2,3,7,8,12,13,17,18-octaethyl-21H,23H-porphyrin-5-yl)-1,3-butadiynyl]-2,2′-bithiophene
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