Chem
J-GLOBAL ID：201807020505593589
Nikkaji number：J3.726.743K
4,4′-[10-(4-Pyridinyl)-20-[3,5-bis(dodecyloxy)phenyl]-21H,23H-porphyrin-5,15-diyl]dibenzoic acid
4,4′-[10-(4-ピリジニル)-20-[3,5-ビス(ドデシルオキシ)フェニル]-21H,23H-ポルフィリン-5,15-ジイル]二安息香酸
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： C69H77N5O6
Molecular formula furigana： C69-H77-N5-O6
Molecular weight： 1072.404
InChI：
InChI=1S/C69H77N5O6/c1-3-5-7-9-11-13-15-17-19-21-43-79-54-45-53(46-55(47-54)80-44-22-20-18-16-14-12-10-8-6-4-2)67-62-37-35-58(73-62)64(48-23-27-51(28-24-48)68(75)76)56-31-33-60(71-56)66(50-39-41-70-42-40-50)61-34-32-57(72-61)65(59-36-38-63(67)74-59)49-25-29-52(30-26-49)69(77)78/h23-42,45-47,71,74H,3-22,43-44H2,1-2H3,(H,75,76)(H,77,78)/b64-56-,64-58-,65-57-,65-59-,66-60-,66-61-,67-62-,67-63-
InChI key：
TYSUUPMFWKXJHL-NXOMLQPOSA-N
SMILES：
CCCCCCCCCCCCOc1cc(OCCCCCCCCCCCC)cc(c1)/C/1=c/2\cc/c(=C(/C3=N/C(=C(\c4ccc(/C(=C\5/C=CC1=N5)/c1ccc(cc1)C(=O)O)[nH]4)/c1ccncc1)/C=C3)\c1ccc(cc1)C(=O)O)/[nH]2
Systematic name (1)：
- 4,4′-[10-(4-ピリジニル)-20-[3,5-ビス(ドデシルオキシ)フェニル]-21H,23H-ポルフィリン-5,15-ジイル]二安息香酸
- 4,4′-[10-(4-Pyridinyl)-20-[3,5-bis(dodecyloxy)phenyl]-21H,23H-porphyrin-5,15-diyl]dibenzoic acid
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