Chem
J-GLOBAL ID：200907027060619749
Nikkaji number：J1.888.039C
10,10′-(1,3-Phenylene)bis[5-heptyl-20-(1-methyl-1H-imidazol-2-yl)-21H,23H-porphyrin]
10,10′-(1,3-フェニレン)ビス[5-ヘプチル-20-(1-メチル-1H-イミダゾール-2-イル)-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： C68H66N12
Molecular formula furigana： C68-H66-N12
Molecular weight： 1051.360
InChI：
InChI=1S/C68H66N12/c1-5-7-9-11-13-18-49-51-28-32-57(75-51)63(55-24-20-45(71-55)41-47-22-26-59(73-47)65(61-34-30-53(49)77-61)67-69-36-38-79(67)3)43-16-15-17-44(40-43)64-56-25-21-46(72-56)42-48-23-27-60(74-48)66(68-70-37-39-80(68)4)62-35-31-54(78-62)50(19-14-12-10-8-6-2)52-29-33-58(64)76-52/h15-17,20-42,71-72,77-78H,5-14,18-19H2,1-4H3/b45-41-,46-42-,47-41-,48-42-,51-49-,52-50-,53-49-,54-50-,63-55-,63-57-,64-56-,64-58-,65-59+,65-61+,66-60+,66-62+
InChI key：
AWVCUWMJUHWXNY-IPGBMUACSA-N
SMILES：
CCCCCCC/C/1=c/2\cc/c(=C(/C3=N/C(=C\c4ccc(/C(=C\5/C=CC1=N5)/c1cccc(c1)/C/1=c/5\cc/c(=C/C6=N/C(=C(\c7ccc(/C(=C\8/C=CC1=N8)/CCCCCCC)[nH]7)/c1nccn1C)/C=C6)/[nH]5)[nH]4)/C=C3)\c1nccn1C)/[nH]2
Systematic name (3)：
- 10,10′-(1,3-フェニレン)ビス[5-ヘプチル-20-(1-メチル-1H-イミダゾール-2-イル)-21H,23H-ポルフィリン]
- 17-ヘプチル-2-{3-[7-ヘプチル-12-(1-メチル-1H-イミダゾール-2-イル)-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]フェニル}-12-(1-メチル-1H-イミダゾール-2-イル)-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
- 17-heptyl-2-{3-[7-heptyl-12-(1-methyl-1H-imidazol-2-yl)-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]phenyl}-12-(1-methyl-1H-imidazol-2-yl)-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
- 10,10′-(1,3-Phenylene)bis[5-heptyl-20-(1-methyl-1H-imidazol-2-yl)-21H,23H-porphyrin]
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