Chem
J-GLOBAL ID：200907079930504276   Nikkaji number：J1.294.840I

20,20′-[1,4-Phenylenebis(1,2-ethynediyl)]bis[10-(trihexylsilylethynyl)-5,15-bis(3,5-di-tert-butylphenyl)-21H,23H-porphyrin]

20,20′-[1,4-フェニレンビス(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]
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： C146H186N8Si2
Molecular formula furigana： C146-H186-N8-SI2
Molecular weight： 2109.320
InChI： InChI=1S/C146H186N8Si2/c1-31-37-43-49-81-155(82-50-44-38-32-2,83-51-45-39-33-3)87-79-117-123-67-75-131(151-123)135(103-89-107(139(7,8)9)97-108(90-103)140(10,11)12)127-71-63-119(147-127)115(120-64-72-128(148-120)136(132-76-68-124(117)152-132)104-91-109(141(13,14)15)98-110(92-104)142(16,17)18)61-59-101-55-57-102(58-56-101)60-62-116-121-65-73-129(149-121)137(105-93-111(143(19,20)21)99-112(94-105)144(22,23)24)133-77-69-125(153-133)118(80-88-156(84-52-46-40-34-4,85-53-47-41-35-5)86-54-48-42-36-6)126-70-78-134(154-126)138(130-74-66-122(116)150-130)106-95-113(145(25,26)27)100-114(96-106)146(28,29)30/h55-58,63-78,89-100,147,149,152,154H,31-54,81-86H2,1-30H3/b119-115-,120-115-,121-116-,122-116-,123-117-,124-117-,125-118-,126-118-,135-127-,135-131-,136-128-,136-132-,137-129-,137-133-,138-130-,138-134-
InChI key： BLSFOBBPXXXXLI-HVEVHKONSA-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(cc1)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′-[1,4-フェニレンビス(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′-[1,4-フェニレンビス(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-(4-{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}フェニル)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-(4-{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}phenyl)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′-[1,4-Phenylenebis(1,2-ethynediyl)]bis[10-(trihexylsilylethynyl)-5,15-bis(3,5-di-tert-butylphenyl)-21H,23H-porphyrin]
  • 20,20′-[1,4-Phenylenebis(1,2-ethynediyl)]bis[5,15-bis(3,5-di-tert-butylphenyl)-10-(trihexylsilylethynyl)-21H,23H-porphyrin]
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