Chem
J-GLOBAL ID：200907050699841924
Nikkaji number：J1.830.375B
15,15′-[Tetramethylenebis[oxy[5-(octyloxy)-1,3-phenylene]]]-10,10′-bi[5-[3,5-bis(octyloxy)phenyl]-21H,23H-porphyrin]
15,15′-[テトラメチレンビス[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： C116H144N8O8
Molecular formula furigana： C116-H144-N8-O8
Molecular weight： 1778.476
InChI：
InChI=1S/C116H144N8O8/c1-7-13-19-25-31-37-61-125-91-69-83(70-92(79-91)126-62-38-32-26-20-14-8-2)111-99-49-45-87(117-99)77-89-47-51-101(119-89)113-85-73-95(129-65-41-35-29-23-17-11-5)81-97(75-85)131-67-43-44-68-132-98-76-86(74-96(82-98)130-66-42-36-30-24-18-12-6)114-102-52-48-90(120-102)78-88-46-50-100(118-88)112(84-71-93(127-63-39-33-27-21-15-9-3)80-94(72-84)128-64-40-34-28-22-16-10-4)104-54-58-108(122-104)116(110-60-56-106(114)124-110)115(107-57-53-103(111)121-107)109-59-55-105(113)123-109/h45-60,69-82,117-118,123-124H,7-44,61-68H2,1-6H3/b87-77-,88-78-,89-77?,90-78?,111-99-,111-103?,112-100-,112-104?,113-101-,113-105?,114-102-,114-106?,115-107+,115-109?,116-108+,116-110?
InChI key：
OGIMDSCDRWGRBC-HWBLAJMKSA-N
SMILES：
CCCCCCCCOc1cc(OCCCCCCCC)cc(c1)C1=C2C=CC(=N2)C2=c3ccc(=C(c4cc(cc(OCCCCOc5cc(cc(C6=c7ccc(=C2C2=NC(=C(c8cc(OCCCCCCCC)cc(OCCCCCCCC)c8)c8ccc(C=C9C=CC6=N9)[nH]8)C=C2)[nH]7)c5)OCCCCCCCC)c4)OCCCCCCCC)C2=NC(=Cc4ccc1[nH]4)C=C2)[nH]3
Systematic name (3)：
- 15,15′-[テトラメチレンビス[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]
- 7,44-ビス[3,5-ビス(オクチルオキシ)フェニル]-20,31-ビス(オクチルオキシ)-23,28-ジオキサ-53,54,55,56,63,64,65,66-オクタアザトリデカシクロ[32.14.4.42,17.13,6.18,11.113,16.118,22.129,33.135,38.140,43.145,48.149,52.159,62]ヘキサヘキサコンタ-1(49),2(62),3(65),4,6,8,10,12,14,16(63),17(59),18,20,22(58),29,31,33(57),34(52),35(56),36,38,40,42,44,46,48(54),50,60-オクタコサエン
- 7,44-bis[3,5-bis(octyloxy)phenyl]-20,31-bis(octyloxy)-23,28-dioxa-53,54,55,56,63,64,65,66-octaazatridecacyclo[32.14.4.42,17.13,6.18,11.113,16.118,22.129,33.135,38.140,43.145,48.149,52.159,62]hexahexaconta-1(49),2(62),3(65),4,6,8,10,12,14,16(63),17(59),18,20,22(58),29,31,33(57),34(52),35(56),36,38,40,42,44,46,48(54),50,60-octacosaene
- 15,15′-[Tetramethylenebis[oxy[5-(octyloxy)-1,3-phenylene]]]-10,10′-bi[5-[3,5-bis(octyloxy)phenyl]-21H,23H-porphyrin]
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