Chem
J-GLOBAL ID：201507003561735864
Nikkaji number：J3.435.425A
6,6′-[10,20-Diethyl-21H,23H-porphyrin-5,15-diylbis[4,4′-bis(methoxycarbonyl)-2,2′-bipyridine-6′,6-diyl(10,20-diethyl-21H,23H-porphyrin-15,5-diyl)]]-2,2′-bipyridine-4,4′-dicarboxylic acid dimethyl ester
6,6′-[10,20-ジエチル-21H,23H-ポルフィリン-5,15-ジイルビス[4,4′-ビス(メトキシカルボニル)-2,2′-ビピリジン-6′,6-ジイル(10,20-ジエチル-21H,23H-ポルフィリン-15,5-ジイル)]]-2,2′-ビピリジン-4,4′-ジカルボン酸ジメチル
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： C114H90N18O12
Molecular formula furigana： C114-H90-N18-O12
Molecular weight： 1904.088
InChI：
InChI=1S/C114H90N18O12/c1-13-61-67-19-31-79(115-67)103-81-33-21-69(117-81)62(14-2)70-22-34-82(118-70)104(80-32-20-68(61)116-80)98-50-56(110(134)140-8)44-92(128-98)94-46-58(112(136)142-10)52-100(130-94)106-85-37-25-73(121-85)65(17-5)77-29-41-89(125-77)108(90-42-30-78(126-90)66(18-6)74-26-38-86(106)122-74)102-54-60(114(138)144-12)48-96(132-102)95-47-59(113(137)143-11)53-101(131-95)107-87-39-27-75(123-87)63(15-3)71-23-35-83(119-71)105(84-36-24-72(120-84)64(16-4)76-28-40-88(107)124-76)99-51-57(111(135)141-9)45-93(129-99)91-43-55(109(133)139-7)49-97(103)127-91/h19-54,115-116,119-121,125H,13-18H2,1-12H3/b67-61-,68-61-,69-62-,70-62-,71-63-,72-64-,73-65-,74-66-,75-63-,76-64-,77-65-,78-66-,103-79+,103-81+,104-80+,104-82+,105-83+,105-84+,106-85+,106-86+,107-87+,107-88+,108-89+,108-90+
InChI key：
UKQXBJQRWXTPAA-HTWXMMRJSA-N
SMILES：
CC/C/1=c/2\cc/c(=C\3/c4ccc([nH]4)/C(=C\4/C=CC(=N4)/C(=C\4/C=CC1=N4)/c1cc(cc(n1)c1cc(cc(n1)/C/1=c/4\cc/c(=C(\CC)/c5ccc([nH]5)/C(=C\5/C=CC(=N5)/C(=C\5/C=CC1=N5)/CC)/c1cc(cc(n1)c1cc(cc(n1)/C/1=c/5\cc/c(=C(\CC)/c6ccc([nH]6)/C(=C\6/C=CC(=N6)/C(=C\6/C=CC1=N6)/CC)/c1cc(cc(n1)c1cc(cc3n1)C(=O)OC)C(=O)OC)/[nH]5)C(=O)OC)C(=O)OC)/[nH]4)C(=O)OC)C(=O)OC)/CC)/[nH]2
Systematic name (1)：
- 6,6′-[10,20-ジエチル-21H,23H-ポルフィリン-5,15-ジイルビス[4,4′-ビス(メトキシカルボニル)-2,2′-ビピリジン-6′,6-ジイル(10,20-ジエチル-21H,23H-ポルフィリン-15,5-ジイル)]]-2,2′-ビピリジン-4,4′-ジカルボン酸ジメチル
- 6,6′-[10,20-Diethyl-21H,23H-porphyrin-5,15-diylbis[4,4′-bis(methoxycarbonyl)-2,2′-bipyridine-6′,6-diyl(10,20-diethyl-21H,23H-porphyrin-15,5-diyl)]]-2,2′-bipyridine-4,4′-dicarboxylic acid dimethyl ester
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