Chem
J-GLOBAL ID：200907027643066179
Nikkaji number：J2.658.150H
5,15-Bis[3,4,5-tris(dodecyloxy)phenyl]-10,20-diethynyl-21H,23H-porphyrin
5,15-ビス[3,4,5-トリス(ドデシルオキシ)フェニル]-10,20-ジエチニル-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： C108H166N4O6
Molecular formula furigana： C108-H166-N4-O6
Molecular weight： 1616.538
InChI：
InChI=1S/C108H166N4O6/c1-9-17-23-29-35-41-47-53-59-65-79-113-101-85-89(86-102(114-80-66-60-54-48-42-36-30-24-18-10-2)107(101)117-83-69-63-57-51-45-39-33-27-21-13-5)105-97-75-71-93(109-97)91(15-7)95-73-77-99(111-95)106(100-78-74-96(112-100)92(16-8)94-72-76-98(105)110-94)90-87-103(115-81-67-61-55-49-43-37-31-25-19-11-3)108(118-84-70-64-58-52-46-40-34-28-22-14-6)104(88-90)116-82-68-62-56-50-44-38-32-26-20-12-4/h7-8,71-78,85-88,109,112H,9-14,17-70,79-84H2,1-6H3/b93-91-,94-92-,95-91-,96-92-,105-97-,105-98-,106-99-,106-100-
InChI key：
RIRZIAARIWPBJH-UMMUUJPSSA-N
SMILES：
CCCCCCCCCCCCOc1cc(cc(OCCCCCCCCCCCC)c1OCCCCCCCCCCCC)/C/1=c/2\cc/c(=C(/C3=N/C(=C(\c4ccc(/C(=C\5/C=CC1=N5)/C#C)[nH]4)/c1cc(OCCCCCCCCCCCC)c(OCCCCCCCCCCCC)c(OCCCCCCCCCCCC)c1)/C=C3)\C#C)/[nH]2
Systematic name (1)：
- 5,15-ビス[3,4,5-トリス(ドデシルオキシ)フェニル]-10,20-ジエチニル-21H,23H-ポルフィリン
- 5,15-Bis[3,4,5-tris(dodecyloxy)phenyl]-10,20-diethynyl-21H,23H-porphyrin
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