Chem
J-GLOBAL ID：200907073050961920
Nikkaji number：J1.830.376K
15,15′-[1,10-Decanediylbis[oxy[5-(octyloxy)-1,3-phenylene]]]-10,10′-bi[5-[3,5-bis(octyloxy)phenyl]-21H,23H-porphyrin]
15,15′-[1,10-デカンジイルビス[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： C122H156N8O8
Molecular formula furigana： C122-H156-N8-O8
Molecular weight： 1862.638
InChI：
InChI=1S/C122H156N8O8/c1-7-13-19-25-35-43-67-131-97-75-89(76-98(85-97)132-68-44-36-26-20-14-8-2)117-105-55-51-93(123-105)83-95-53-57-107(125-95)119-91-79-101(135-71-47-39-29-23-17-11-5)87-103(81-91)137-73-49-41-33-31-32-34-42-50-74-138-104-82-92(80-102(88-104)136-72-48-40-30-24-18-12-6)120-108-58-54-96(126-108)84-94-52-56-106(124-94)118(90-77-99(133-69-45-37-27-21-15-9-3)86-100(78-90)134-70-46-38-28-22-16-10-4)110-60-64-114(128-110)122(116-66-62-112(120)130-116)121(113-63-59-109(117)127-113)115-65-61-111(119)129-115/h51-66,75-88,123-124,129-130H,7-50,67-74H2,1-6H3/b93-83-,94-84-,95-83?,96-84?,117-105-,117-109?,118-106-,118-110?,119-107-,119-111?,120-108+,120-112?,121-113+,121-115?,122-114-,122-116?
InChI key：
KOVDPIKZCGGBDJ-HVLQBQSESA-N
SMILES：
CCCCCCCCOc1cc(OCCCCCCCC)cc(c1)C1=C2C=CC(=N2)C2=c3ccc(=C(c4cc(cc(OCCCCCCCCCCOc5cc(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′-[1,10-デカンジイルビス[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]
- 7,50-ビス[3,5-ビス(オクチルオキシ)フェニル]-20,37-ビス(オクチルオキシ)-23,34-ジオキサ-59,60,61,62,69,70,71,72-オクタアザトリデカシクロ[38.14.4.42,17.13,6.18,11.113,16.118,22.135,39.141,44.146,49.151,54.155,58.165,68]ドヘプタコンタ-1(55),2(68),3(71),4,6,8,10,12,14,16(69),17(65),18,20,22(64),35,37,39(63),40(58),41(62),42,44,46,48,50,52,54(60),56,66-オクタコサエン
- 7,50-bis[3,5-bis(octyloxy)phenyl]-20,37-bis(octyloxy)-23,34-dioxa-59,60,61,62,69,70,71,72-octaazatridecacyclo[38.14.4.42,17.13,6.18,11.113,16.118,22.135,39.141,44.146,49.151,54.155,58.165,68]doheptaconta-1(55),2(68),3(71),4,6,8,10,12,14,16(69),17(65),18,20,22(64),35,37,39(63),40(58),41(62),42,44,46,48,50,52,54(60),56,66-octacosaene
- 15,15′-[1,10-Decanediylbis[oxy[5-(octyloxy)-1,3-phenylene]]]-10,10′-bi[5-[3,5-bis(octyloxy)phenyl]-21H,23H-porphyrin]
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