Chem
J-GLOBAL ID：200907051581051755   Nikkaji number：J1.735.899E

10,10′-Bi[5,15-bis[3,5-bis(octyloxy)phenyl]-21H,23H-porphyrin]

10,10′-ビ[5,15-ビス[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
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
Molecular formula： C128H170N8O8
Molecular formula furigana： C128-H170-N8-O8
Molecular weight： 1948.816
InChI： InChI=1S/C128H170N8O8/c1-9-17-25-33-41-49-73-137-103-81-95(82-104(91-103)138-74-50-42-34-26-18-10-2)123-111-61-57-99(129-111)89-100-58-62-112(130-100)124(96-83-105(139-75-51-43-35-27-19-11-3)92-106(84-96)140-76-52-44-36-28-20-12-4)116-66-70-120(134-116)127(119-69-65-115(123)133-119)128-121-71-67-117(135-121)125(97-85-107(141-77-53-45-37-29-21-13-5)93-108(86-97)142-78-54-46-38-30-22-14-6)113-63-59-101(131-113)90-102-60-64-114(132-102)126(118-68-72-122(128)136-118)98-87-109(143-79-55-47-39-31-23-15-7)94-110(88-98)144-80-56-48-40-32-24-16-8/h57-72,81-94,129,131,134,136H,9-56,73-80H2,1-8H3/b99-89-,100-89-,101-90-,102-90-,123-111-,123-115-,124-112-,124-116-,125-113-,125-117-,126-114-,126-118-,127-119+,127-120+,128-121+,128-122+
InChI key： VKJGHAORHQHLOJ-UYGSRQFFSA-N
SMILES： CCCCCCCCOc1cc(OCCCCCCCC)cc(c1)/C/1=c/2\cc/c(=C(/C3=N/C(=C(\c4ccc(/C=C\5/C=CC1=N5)[nH]4)/c1cc(OCCCCCCCC)cc(OCCCCCCCC)c1)/C=C3)\C\1=c\3/cc/c(=C(/C4=N/C(=C\c5ccc(/C(=C\6/C=CC1=N6)/c1cc(OCCCCCCCC)cc(OCCCCCCCC)c1)[nH]5)/C=C4)\c1cc(OCCCCCCCC)cc(OCCCCCCCC)c1)/[nH]3)/[nH]2
Systematic name  (1)：
  • 10,10′-ビ[5,15-ビス[3,5-ビス(オクチルオキシ)フェニル]-21H,23H-ポルフィリン]
Other name (1)：
  • 10,10′-Bi[5,15-bis[3,5-bis(octyloxy)phenyl]-21H,23H-porphyrin]
Thsaurus map：
Thesaurus Map

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