Chem
J-GLOBAL ID：200907020049834480
Nikkaji number：J2.681.676I
20,20′-[9,9-Bis(3,5,5-trimethylhexyl)-9H-fluorene-2,7-diylbis(1,2-ethynediyl)]bis[10-(1-methyl-1H-imidazole-2-yl)-5,15-bis[3-(allyloxy)propyl]-21H,23H-porphyrin]
20,20′-[9,9-ビス(3,5,5-トリメチルヘキシル)-9H-フルオレン-2,7-ジイルビス(1,2-エチンジイル)]ビス[10-(1-メチル-1H-イミダゾール-2-イル)-5,15-ビス[3-(アリルオキシ)プロピル]-21H,23H-ポルフィリン]
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： C107H118N12O4
Molecular formula furigana： C107-H118-N12-O4
Molecular weight： 1636.201
InChI：
InChI=1S/C107H118N12O4/c1-15-59-120-63-19-23-77-85-35-39-93(110-85)81(94-40-36-86(111-94)78(24-20-64-121-60-16-2)90-44-48-98(115-90)101(97-47-43-89(77)114-97)103-108-55-57-118(103)13)33-29-73-27-31-75-76-32-28-74(68-84(76)107(83(75)67-73,53-51-71(5)69-105(7,8)9)54-52-72(6)70-106(10,11)12)30-34-82-95-41-37-87(112-95)79(25-21-65-122-61-17-3)91-45-49-99(116-91)102(104-109-56-58-119(104)14)100-50-46-92(117-100)80(26-22-66-123-62-18-4)88-38-42-96(82)113-88/h15-18,27-28,31-32,35-50,55-58,67-68,71-72,110,112,115,117H,1-4,19-26,51-54,59-66,69-70H2,5-14H3/b85-77-,86-78-,87-79-,88-80-,89-77-,90-78-,91-79-,92-80-,93-81-,94-81-,95-82-,96-82-,101-97+,101-98+,102-99+,102-100+
InChI key：
UJBRBQIZDMFTTI-ZUOHOQINSA-N
SMILES：
CC(CCC1(CCC(C)CC(C)(C)C)c2cc(ccc2c2ccc(cc12)C#C/C/1=c/2\cc/c(=C(/C3=N/C(=C(\c4ccc(/C(=C\5/C=CC1=N5)/CCCOCC=C)[nH]4)/c1nccn1C)/C=C3)\CCCOCC=C)/[nH]2)C#C/C/1=c/2\cc/c(=C(/C3=N/C(=C(\c4ccc(/C(=C\5/C=CC1=N5)/CCCOCC=C)[nH]4)/c1nccn1C)/C=C3)\CCCOCC=C)/[nH]2)CC(C)(C)C
Systematic name (3)：
- 20,20′-[9,9-ビス(3,5,5-トリメチルヘキシル)-9H-フルオレン-2,7-ジイルビス(1,2-エチンジイル)]ビス[10-(1-メチル-1H-イミダゾール-2-イル)-5,15-ビス[3-(アリルオキシ)プロピル]-21H,23H-ポルフィリン]
- 2-(1-メチル-1H-イミダゾール-2-イル)-12-[2-(7-{2-[12-(1-メチル-1H-イミダゾール-2-イル)-7,17-ビス[3-(プロパ-2-エン-1-イルオキシ)プロピル]-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(24),4,6,8,10,12,14,16(22),17,19-ウンデカエン-2-イル]エチニル}-9,9-ビス(3,5,5-トリメチルヘキシル)-9H-フルオレン-2-イル)エチニル]-7,17-ビス[3-(プロパ-2-エン-1-イルオキシ)プロピル]-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-(1-methyl-1H-imidazol-2-yl)-12-[2-(7-{2-[12-(1-methyl-1H-imidazol-2-yl)-7,17-bis[3-(prop-2-en-1-yloxy)propyl]-21,22,23,24-tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),4,6,8,10,12,14,16(22),17,19-undecaen-2-yl]ethynyl}-9,9-bis(3,5,5-trimethylhexyl)-9H-fluoren-2-yl)ethynyl]-7,17-bis[3-(prop-2-en-1-yloxy)propyl]-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
- 20,20′-[9,9-Bis(3,5,5-trimethylhexyl)-9H-fluorene-2,7-diylbis(1,2-ethynediyl)]bis[10-(1-methyl-1H-imidazole-2-yl)-5,15-bis[3-(allyloxy)propyl]-21H,23H-porphyrin]
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