Chem
J-GLOBAL ID：200907050835337674
Nikkaji number：J1.830.377I
15,15′-[Octamethylenebis[oxy[5-(octyloxy)-1,3-phenylene]]]-10,10′-bi[5-[3,5-bis(octyloxy)phenyl]-21H,23H-porphyrin]
15,15′-[オクタメチレンビス[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： C120H152N8O8
Molecular formula furigana： C120-H152-N8-O8
Molecular weight： 1834.584
InChI：
InChI=1S/C120H152N8O8/c1-7-13-19-25-33-41-65-129-95-73-87(74-96(83-95)130-66-42-34-26-20-14-8-2)115-103-53-49-91(121-103)81-93-51-55-105(123-93)117-89-77-99(133-69-45-37-29-23-17-11-5)85-101(79-89)135-71-47-39-31-32-40-48-72-136-102-80-90(78-100(86-102)134-70-46-38-30-24-18-12-6)118-106-56-52-94(124-106)82-92-50-54-104(122-92)116(88-75-97(131-67-43-35-27-21-15-9-3)84-98(76-88)132-68-44-36-28-22-16-10-4)108-58-62-112(126-108)120(114-64-60-110(118)128-114)119(111-61-57-107(115)125-111)113-63-59-109(117)127-113/h49-64,73-86,121-122,127-128H,7-48,65-72H2,1-6H3/b91-81-,92-82-,93-81-,94-82-,115-103-,115-107-,116-104-,116-108-,117-105-,117-109-,118-106+,118-110+,119-111+,119-113+,120-112-,120-114-
InChI key：
FJJXJYOXKKRXGD-PYCYXHKSSA-N
SMILES：
CCCCCCCCOc1cc(OCCCCCCCC)cc(c1)/C/1=C/2\C=CC(=N2)/C/2=c\3/cc/c(=C(\c4cc(cc(OCCCCCCCCOc5cc(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′-[オクタメチレンビス[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]
- 7,48-ビス[3,5-ビス(オクチルオキシ)フェニル]-20,35-ビス(オクチルオキシ)-23,32-ジオキサ-57,58,59,60,67,68,69,70-オクタアザトリデカシクロ[36.14.4.42,17.13,6.18,11.113,16.118,22.133,37.139,42.144,47.149,52.153,56.163,66]ヘプタコンタ-1(53),2(66),3(69),4,6,8,10,12,14,16(67),17(63),18,20,22(62),33,35,37(61),38(56),39(60),40,42,44,46,48,50,52(58),54,64-オクタコサエン
- 7,48-bis[3,5-bis(octyloxy)phenyl]-20,35-bis(octyloxy)-23,32-dioxa-57,58,59,60,67,68,69,70-octaazatridecacyclo[36.14.4.42,17.13,6.18,11.113,16.118,22.133,37.139,42.144,47.149,52.153,56.163,66]heptaconta-1(53),2(66),3(69),4,6,8,10,12,14,16(67),17(63),18,20,22(62),33,35,37(61),38(56),39(60),40,42,44,46,48,50,52(58),54,64-octacosaene
- 15,15′-[Octamethylenebis[oxy[5-(octyloxy)-1,3-phenylene]]]-10,10′-bi[5-[3,5-bis(octyloxy)phenyl]-21H,23H-porphyrin]
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