Chem
J-GLOBAL ID：200907068314545501   Nikkaji number：J1.294.841G

20,20′-[2,5-Thiophenediylbis(1,2-ethynediyl)]bis[5,15-bis(3,5-di-tert-butylphenyl)-10-(trihexylsilylethynyl)-21H,23H-porphyrin]

20,20′-[2,5-チオフェンジイルビス(1,2-エチンジイル)]ビス[5,15-ビス(3,5-ジ-tert-ブチルフェニル)-10-(トリヘキシルシリルエチニル)-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： C144H184N8SSi2
Molecular formula furigana： C144-H184-N8-S-SI2
Molecular weight： 2115.340
InChI： InChI=1S/C144H184N8SSi2/c1-31-37-43-49-79-154(80-50-44-38-32-2,81-51-45-39-33-3)85-77-115-121-65-73-129(149-121)133(99-87-103(137(7,8)9)95-104(88-99)138(10,11)12)125-69-61-117(145-125)113(118-62-70-126(146-118)134(130-74-66-122(115)150-130)100-89-105(139(13,14)15)96-106(90-100)140(16,17)18)59-57-111-55-56-112(153-111)58-60-114-119-63-71-127(147-119)135(101-91-107(141(19,20)21)97-108(92-101)142(22,23)24)131-75-67-123(151-131)116(78-86-155(82-52-46-40-34-4,83-53-47-41-35-5)84-54-48-42-36-6)124-68-76-132(152-124)136(128-72-64-120(114)148-128)102-93-109(143(25,26)27)98-110(94-102)144(28,29)30/h55-56,61-76,87-98,145,147,150,152H,31-54,79-84H2,1-30H3/b117-113-,118-113-,119-114-,120-114-,121-115-,122-115-,123-116-,124-116-,133-125-,133-129-,134-126-,134-130-,135-127-,135-131-,136-128-,136-132-
InChI key： PPLUBEFKSXZDJT-HAUFGAIFSA-N
SMILES： CCCCCC[Si](CCCCCC)(CCCCCC)C#C/C/1=c/2\cc/c(=C(/C3=N/C(=C(\c4ccc(/C(=C\5/C=CC1=N5)/c1cc(cc(c1)C(C)(C)C)C(C)(C)C)[nH]4)/C#Cc1ccc(s1)C#C/C/1=c/4\cc/c(=C(/C5=N/C(=C(\c6ccc(/C(=C\7/C=CC1=N7)/c1cc(cc(c1)C(C)(C)C)C(C)(C)C)[nH]6)/C#C[Si](CCCCCC)(CCCCCC)CCCCCC)/C=C5)\c1cc(cc(c1)C(C)(C)C)C(C)(C)C)/[nH]4)/C=C3)\c1cc(cc(c1)C(C)(C)C)C(C)(C)C)/[nH]2
Systematic name  (4)：
  • 20,20′-[チオフェン-2,5-ジイルビス(1,2-エチンジイル)]ビス[10-(トリヘキシルシリルエチニル)-5,15-ビス(3,5-ジ-tert-ブチルフェニル)-21H,23H-ポルフィリン]
  • 20,20′-[2,5-チオフェンジイルビス(1,2-エチンジイル)]ビス[5,15-ビス(3,5-ジ-tert-ブチルフェニル)-10-(トリヘキシルシリルエチニル)-21H,23H-ポルフィリン]
  • 2-[2-(5-{2-[7,17-ビス(3,5-ジ-tert-ブチルフェニル)-12-[2-(トリヘキシルシリル)エチニル]-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]エチニル}チオフェン-2-イル)エチニル]-7,17-ビス(3,5-ジ-tert-ブチルフェニル)-12-[2-(トリヘキシルシリル)エチニル]-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-[2-(5-{2-[7,17-bis(3,5-di-tert-butylphenyl)-12-[2-(trihexylsilyl)ethynyl]-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]ethynyl}thiophen-2-yl)ethynyl]-7,17-bis(3,5-di-tert-butylphenyl)-12-[2-(trihexylsilyl)ethynyl]-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)：
  • 20,20′-[Thiophene-2,5-diylbis(1,2-ethynediyl)]bis[10-(trihexylsilylethynyl)-5,15-bis(3,5-di-tert-butylphenyl)-21H,23H-porphyrin]
  • 20,20′-[2,5-Thiophenediylbis(1,2-ethynediyl)]bis[5,15-bis(3,5-di-tert-butylphenyl)-10-(trihexylsilylethynyl)-21H,23H-porphyrin]
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