Chem
J-GLOBAL ID：200907056708051123
Nikkaji number：J1.830.374D
15,15′-[Methylenebis[oxy[5-(octyloxy)-1,3-phenylene]]]-10,10′-bi[5-[3,5-bis(octyloxy)phenyl]-21H,23H-porphyrin]
15,15′-[メチレンビス[オキシ[5-(オクチルオキシ)-1,3-フェニレン]]]-10,10′-ビ[5-[3,5-ビス(オクチルオキシ)フェニル]-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： C113H138N8O8
Molecular formula furigana： C113-H138-N8-O8
Molecular weight： 1736.395
InChI：
InChI=1S/C113H138N8O8/c1-7-13-19-25-31-37-59-122-88-65-80(66-89(75-88)123-60-38-32-26-20-14-8-2)108-96-47-43-84(114-96)73-86-45-49-98(116-86)110-82-69-92(126-63-41-35-29-23-17-11-5)77-94(71-82)128-79-129-95-72-83(70-93(78-95)127-64-42-36-30-24-18-12-6)111-99-50-46-87(117-99)74-85-44-48-97(115-85)109(81-67-90(124-61-39-33-27-21-15-9-3)76-91(68-81)125-62-40-34-28-22-16-10-4)101-52-56-105(119-101)113(107-58-54-103(111)121-107)112(104-55-51-100(108)118-104)106-57-53-102(110)120-106/h43-58,65-78,114-115,120-121H,7-42,59-64,79H2,1-6H3/b84-73-,85-74-,86-73-,87-74-,108-96-,108-100-,109-97-,109-101-,110-98-,110-102-,111-99-,111-103-,112-104+,112-106+,113-105+,113-107+
InChI key：
XONWRFKBVHUEHB-YZQQXBQVSA-N
SMILES：
CCCCCCCCOc1cc(OCCCCCCCC)cc(c1)/C/1=C/2\C=CC(=N2)/C/2=c\3/cc/c(=C(\c4cc(cc(OCOc5cc(cc(/C/6=c/7\cc/c(=C2/C2=N/C(=C(/c8cc(OCCCCCCCC)cc(OCCCCCCCC)c8)\c8ccc(/C=C\9/C=CC6=N9)[nH]8)/C=C2)/[nH]7)c5)OCCCCCCCC)c4)OCCCCCCCC)/C2=N/C(=C\c4ccc1[nH]4)/C=C2)/[nH]3
Systematic name (3)：
- 15,15′-[メチレンビス[オキシ[5-(オクチルオキシ)-1,3-フェニレン]]]-10,10′-ビ[5-[3,5-ビス(オクチルオキシ)フェニル]-21H,23H-ポルフィリン]
- 7,41-ビス[3,5-ビス(オクチルオキシ)フェニル]-20,28-ビス(オクチルオキシ)-23,25-ジオキサ-50,51,52,53,60,61,62,63-オクタアザトリデカシクロ[29.14.4.42,17.13,6.18,11.113,16.118,22.126,30.132,35.137,40.142,45.146,49.156,59]トリヘキサコンタ-1(46),2(59),3(62),4,6,8,10,12,14,16(60),17(56),18,20,22(55),26,28,30(54),31(49),32(53),33,35,37,39,41,43,45(51),47,57-オクタコサエン
- 7,41-bis[3,5-bis(octyloxy)phenyl]-20,28-bis(octyloxy)-23,25-dioxa-50,51,52,53,60,61,62,63-octaazatridecacyclo[29.14.4.42,17.13,6.18,11.113,16.118,22.126,30.132,35.137,40.142,45.146,49.156,59]trihexaconta-1(46),2(59),3(62),4,6,8,10,12,14,16(60),17(56),18,20,22(55),26,28,30(54),31(49),32(53),33,35,37,39,41,43,45(51),47,57-octacosaene
- 15,15′-[Methylenebis[oxy[5-(octyloxy)-1,3-phenylene]]]-10,10′-bi[5-[3,5-bis(octyloxy)phenyl]-21H,23H-porphyrin]
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