Chem
J-GLOBAL ID:200907077201426548   Nikkaji number:J1.474.933K

20,20′-[Decamethylenebis(carbonyloxymethylene-m-phenylene)]-[10,10′-[(1,3-butadiyne-1,4-diyl)bis(m-phenylene)]bis(2,8,12,18-tetramethyl-3,7,13,17-tetrahexyl-21H,23H-porphyrin)]

20,20′-[デカメチレンビス(カルボニルオキシメチレン-m-フェニレン)]-[10,10′-[(1,3-ブタジイン-1,4-ジイル)ビス(m-フェニレン)]ビス(2,8,12,18-テトラメチル-3,7,13,17-テトラヘキシル-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: C138H176N8O4
Molecular formula furigana: C138-H176-N8-O4
Molecular weight: 2010.978
InChI: InChI=1S/C138H176N8O4/c1-17-25-33-47-73-109-93(9)131-127-105-69-59-65-101(83-105)63-57-58-64-102-66-60-70-106(84-102)128-133-95(11)111(75-49-35-27-19-3)119(141-133)89-123-115(79-53-39-31-23-7)99(15)137(145-123)130(138-100(16)116(80-54-40-32-24-8)124(146-138)90-120-112(76-50-36-28-20-4)96(12)134(128)142-120)108-72-62-68-104(86-108)92-150-126(148)82-56-46-44-42-41-43-45-55-81-125(147)149-91-103-67-61-71-107(85-103)129(135-97(13)113(77-51-37-29-21-5)121(143-135)87-117(109)139-131)136-98(14)114(78-52-38-30-22-6)122(144-136)88-118-110(74-48-34-26-18-2)94(10)132(127)140-118/h59-62,65-72,83-90,139,141,144,146H,17-56,73-82,91-92H2,1-16H3/b117-87-,118-88-,119-89-,120-90-,121-87-,122-88-,123-89-,124-90-,131-127-,132-127-,133-128-,134-128-,135-129-,136-129-,137-130-,138-130-
InChI key: FNZIFNOIEUMTKH-ZOHZZGHESA-N
SMILES: CCCCCCC1=C(C)C2=N/C/1=C\c1[nH]c(c(C)c1CCCCCC)/C/1=C/3\N=C(/C=c/4\[nH]/c(=C\2/c2cccc(COC(=O)CCCCCCCCCCC(=O)OCc5cccc(/C/6=C\7/N=C(/C=c/8\[nH]/c(=C(/c9cccc(C#CC#Cc%10cccc1c%10)c9)\C1=N/C(=C\c9[nH]c6c(C)c9CCCCCC)/C(=C1C)CCCCCC)/c(C)c8CCCCCC)C(=C7C)CCCCCC)c5)c2)/c(c4CCCCCC)C)C(=C3C)CCCCCC
Systematic name  (1):
  • 20,20′-[デカメチレンビス(カルボニルオキシメチレン-m-フェニレン)]-[10,10′-[(1,3-ブタジイン-1,4-ジイル)ビス(m-フェニレン)]ビス(2,8,12,18-テトラメチル-3,7,13,17-テトラヘキシル-21H,23H-ポルフィリン)]
Other name (1):
  • 20,20′-[Decamethylenebis(carbonyloxymethylene-m-phenylene)]-[10,10′-[(1,3-butadiyne-1,4-diyl)bis(m-phenylene)]bis(2,8,12,18-tetramethyl-3,7,13,17-tetrahexyl-21H,23H-porphyrin)]
Thsaurus map:

Return to Previous Page