Chem
J-GLOBAL ID:200907002309917378   Nikkaji number:J1.379.244E

5,15-Bis(2,4,6-trimethylphenyl)-10-[4-[4-[5,10,15-tris(2,4,6-trimethylphenyl)-21H,23H-porphyrin-20-yl]phenylethynyl]phenyl]-20-[4-[3-[5,10,15-tris(2,4,6-trimethylphenyl)-21H,23H-porphyrin-20-yl]phenylethynyl]phenyl]-21H,23H-porphyrin

5,15-ビス(2,4,6-トリメチルフェニル)-10-[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]-20-[4-[3-[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
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/c1-85-68-93(9)141(94(10)69-85)153-125-52-44-117(161-125)149(113-38-32-109(33-39-113)28-29-110-34-40-114(41-35-110)150-121-48-56-129(165-121)155(143-97(13)72-87(3)73-98(143)14)133-60-64-137(169-133)159(147-105(21)80-91(7)81-106(147)22)138-65-61-134(170-138)156(130-57-49-122(150)166-130)144-99(15)74-88(4)75-100(144)16)118-45-53-126(162-118)154(142-95(11)70-86(2)71-96(142)12)128-55-47-120(164-128)151(119-46-54-127(153)163-119)115-42-36-111(37-43-115)30-31-112-26-25-27-116(84-112)152-123-50-58-131(167-123)157(145-101(17)76-89(5)77-102(145)18)135-62-66-139(171-135)160(148-107(23)82-92(8)83-108(148)24)140-67-63-136(172-140)158(132-59-51-124(152)168-132)146-103(19)78-90(6)79-104(146)20/h25-27,32-84,161,164-165,167,170,172H,1-24H3/b149-117-,149-118-,150-121-,150-122-,151-119-,151-120-,152-123-,152-124-,153-125+,153-127+,154-126+,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: CJQMHICWKHGCEE-JTYSBRITSA-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#Cc1cccc(c1)/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  (4):
  • 5,15-ビス(2,4,6-トリメチルフェニル)-10-[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]-20-[4-[[3-[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-[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]-20-[4-[3-[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
  • 2,12-ビス(2,4,6-トリメチルフェニル)-7-[4-(2-{3-[7,12,17-トリス(2,4,6-トリメチルフェニル)-21,22,23,24-テトラアザペンタシクロ[16.2.1.13,6.18,11.113,16]テトラコサ-1,3(24),4,6,8,10,12,14,16(22),17,19-ウンデカエン-2-イル]フェニル}エチニル)フェニル]-17-[4-(2-{4-[7,12,17-トリス(2,4,6-トリメチルフェニル)-21,22,23,24-テトラアザペンタシクロ[16.2.1.13,6.18,11.113,16]テトラコサ-1,3(24),4,6,8,10,12,14,16(22),17,19-ウンデカエン-2-イル]フェニル}エチニル)フェニル]-21,22,23,24-テトラアザペンタシクロ[16.2.1.13,6.18,11.113,16]テトラコサ-1,3,5,7,9,11(23),12,14,16,18(21),19-ウンデカエン
  • 2,12-bis(2,4,6-trimethylphenyl)-7-[4-(2-{3-[7,12,17-tris(2,4,6-trimethylphenyl)-21,22,23,24-tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),4,6,8,10,12,14,16(22),17,19-undecaen-2-yl]phenyl}ethynyl)phenyl]-17-[4-(2-{4-[7,12,17-tris(2,4,6-trimethylphenyl)-21,22,23,24-tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),4,6,8,10,12,14,16(22),17,19-undecaen-2-yl]phenyl}ethynyl)phenyl]-21,22,23,24-tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaene
Other name (2):
  • 5,15-Bis(2,4,6-trimethylphenyl)-10-[4-[4-[5,10,15-tris(2,4,6-trimethylphenyl)-21H,23H-porphyrin-20-yl]phenylethynyl]phenyl]-20-[4-[3-[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-[4-[[4-[10,15,20-tris(2,4,6-trimethylphenyl)-21H,23H-porphyrin-5-yl]phenyl]ethynyl]phenyl]-20-[4-[[3-[10,15,20-tris(2,4,6-trimethylphenyl)-21H,23H-porphyrin-5-yl]phenyl]ethynyl]phenyl]-21H,23H-porphyrin
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