Chem
J-GLOBAL ID：200907083491676445
Nikkaji number：J1.830.373F
15,15′-[Trimethylenebis[oxy[5-(octyloxy)-1,3-phenylene]]]-10,10′-bi[5-[3,5-bis(octyloxy)phenyl]-21H,23H-porphyrin]
15,15′-[トリメチレンビス[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： C115H142N8O8
Molecular formula furigana： C115-H142-N8-O8
Molecular weight： 1764.449
InChI：
InChI=1S/C115H142N8O8/c1-7-13-19-25-31-37-60-124-90-68-82(69-91(78-90)125-61-38-32-26-20-14-8-2)110-98-48-44-86(116-98)76-88-46-50-100(118-88)112-84-72-94(128-64-41-35-29-23-17-11-5)80-96(74-84)130-66-43-67-131-97-75-85(73-95(81-97)129-65-42-36-30-24-18-12-6)113-101-51-47-89(119-101)77-87-45-49-99(117-87)111(83-70-92(126-62-39-33-27-21-15-9-3)79-93(71-83)127-63-40-34-28-22-16-10-4)103-53-57-107(121-103)115(109-59-55-105(113)123-109)114(106-56-52-102(110)120-106)108-58-54-104(112)122-108/h44-59,68-81,116-117,122-123H,7-43,60-67H2,1-6H3/b86-76-,87-77-,88-76-,89-77-,110-98-,110-102-,111-99-,111-103-,112-100-,112-104-,113-101-,113-105-,114-106+,114-108+,115-107+,115-109+
InChI key：
PHOXZGCWTOWXAS-BIXAWHFZSA-N
SMILES：
CCCCCCCCOc1cc(OCCCCCCCC)cc(c1)/C/1=C/2\C=CC(=N2)/C/2=c\3/cc/c(=C(\c4cc(cc(OCCCOc5cc(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′-[トリメチレンビス[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]
- 7,43-ビス[3,5-ビス(オクチルオキシ)フェニル]-20,30-ビス(オクチルオキシ)-23,27-ジオキサ-52,53,54,55,62,63,64,65-オクタアザトリデカシクロ[31.14.4.42,17.13,6.18,11.113,16.118,22.128,32.134,37.139,42.144,47.148,51.158,61]ペンタヘキサコンタ-1(48),2(61),3(64),4,6,8,10,12,14,16(62),17(58),18,20,22(57),28,30,32(56),33(51),34(55),35,37,39,41,43,45,47(53),49,59-オクタコサエン
- 7,43-bis[3,5-bis(octyloxy)phenyl]-20,30-bis(octyloxy)-23,27-dioxa-52,53,54,55,62,63,64,65-octaazatridecacyclo[31.14.4.42,17.13,6.18,11.113,16.118,22.128,32.134,37.139,42.144,47.148,51.158,61]pentahexaconta-1(48),2(61),3(64),4,6,8,10,12,14,16(62),17(58),18,20,22(57),28,30,32(56),33(51),34(55),35,37,39,41,43,45,47(53),49,59-octacosaene
- 15,15′-[Trimethylenebis[oxy[5-(octyloxy)-1,3-phenylene]]]-10,10′-bi[5-[3,5-bis(octyloxy)phenyl]-21H,23H-porphyrin]
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