Chem
J-GLOBAL ID：200907033526631078   Nikkaji number：J1.379.243G

5,15-Bis(2,4,6-trimethylphenyl)-10,20-bis[4-[4-[5,10,15-tris(2,4,6-trimethylphenyl)-21H,23H-porphyrin-20-yl]phenylethynyl]phenyl]-21H,23H-porphyrin

20,20′-[5,15-ジメシチル-21H,23H-ポルフィリン-10,20-ジイルビス(1,4-フェニレン)ビス(1,2-エチンジイル)ビス(1,4-フェニレン)]ビス(5,10,15-トリメシチル-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： C160H134N12
Molecular formula furigana： C160-H134-N12
Molecular weight： 2224.916
InChI： InChI=1S/C160H134N12/c1-85-69-93(9)141(94(10)70-85)153-125-53-45-117(161-125)149(113-37-29-109(30-38-113)25-27-111-33-41-115(42-34-111)151-121-49-57-129(165-121)155(143-97(13)73-87(3)74-98(143)14)133-61-65-137(169-133)159(147-105(21)81-91(7)82-106(147)22)138-66-62-134(170-138)156(130-58-50-122(151)166-130)144-99(15)75-88(4)76-100(144)16)119-47-55-127(163-119)154(142-95(11)71-86(2)72-96(142)12)128-56-48-120(164-128)150(118-46-54-126(153)162-118)114-39-31-110(32-40-114)26-28-112-35-43-116(44-36-112)152-123-51-59-131(167-123)157(145-101(17)77-89(5)78-102(145)18)135-63-67-139(171-135)160(148-107(23)83-92(8)84-108(148)24)140-68-64-136(172-140)158(132-60-52-124(152)168-132)146-103(19)79-90(6)80-104(146)20/h29-84,161,164-165,167,170,172H,1-24H3/b149-117-,149-119-,150-118-,150-120-,151-121-,151-122-,152-123-,152-124-,153-125+,153-126+,154-127+,154-128+,155-129+,155-133+,156-130+,156-134+,157-131+,157-135+,158-132+,158-136+,159-137+,159-138+,160-139+,160-140+
InChI key： KJBQWITVNQCJHI-QYSIQQHZSA-N
SMILES： Cc1cc(C)c(c(C)c1)/C/1=c/2\cc/c(=C(/C3=N/C(=C(\c4ccc(/C(=C\5/C=CC1=N5)/c1ccc(cc1)C#Cc1ccc(cc1)/C/1=c/5\cc/c(=C(/C6=N/C(=C(\c7ccc(/C(=C\8/C=CC1=N8)/c1c(C)cc(C)cc1C)[nH]7)/c1c(C)cc(C)cc1C)/C=C6)\c1c(C)cc(C)cc1C)/[nH]5)[nH]4)/c1c(C)cc(C)cc1C)/C=C3)\c1ccc(cc1)C#Cc1ccc(cc1)/C/1=c/3\cc/c(=C(/C4=N/C(=C(\c5ccc(/C(=C\6/C=CC1=N6)/c1c(C)cc(C)cc1C)[nH]5)/c1c(C)cc(C)cc1C)/C=C4)\c1c(C)cc(C)cc1C)/[nH]3)/[nH]2
Systematic name  (3)：
  • 20,20′-[5,15-ジメシチル-21H,23H-ポルフィリン-10,20-ジイルビス(1,4-フェニレン)ビス(1,2-エチンジイル)ビス(1,4-フェニレン)]ビス(5,10,15-トリメシチル-21H,23H-ポルフィリン)
  • 5,15-ビス(2,4,6-トリメチルフェニル)-10,20-ビス[4-[[4-[10,15,20-トリス(2,4,6-トリメチルフェニル)-21H,23H-ポルフィリン-5-イル]フェニル]エチニル]フェニル]-21H,23H-ポルフィリン
  • 5,15-ビス(2,4,6-トリメチルフェニル)-10,20-ビス[4-[4-[5,10,15-トリス(2,4,6-トリメチルフェニル)-21H,23H-ポルフィリン-20-イル]フェニルエチニル]フェニル]-21H,23H-ポルフィリン
Other name (3)：
  • 5,15-Bis(2,4,6-trimethylphenyl)-10,20-bis[4-[4-[5,10,15-tris(2,4,6-trimethylphenyl)-21H,23H-porphyrin-20-yl]phenylethynyl]phenyl]-21H,23H-porphyrin
  • 5,15-Bis(2,4,6-trimethylphenyl)-10,20-bis[4-[[4-[10,15,20-tris(2,4,6-trimethylphenyl)-21H,23H-porphyrin-5-yl]phenyl]ethynyl]phenyl]-21H,23H-porphyrin
  • 20,20′-[5,15-Dimesityl-21H,23H-porphyrin-10,20-diylbis(1,4-phenylene)bis(1,2-ethynediyl)bis(1,4-phenylene)]bis(5,10,15-trimesityl-21H,23H-porphyrin)
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