Chem
J-GLOBAL ID：200907027178664366
Nikkaji number：J2.063.461H
5,5′-Ethylenebis[2,3,7,8,12,13,17,18-octaethyl-15-[4-(2,3,7,8,12,13,17,18-octaethyl-21H,23H-porphyrin-5-yl)-1,3-butadiynyl]-21H,23H-porphyrin]
5,5′-エチレンビス[2,3,7,8,12,13,17,18-オクタエチル-15-[4-(2,3,7,8,12,13,17,18-オクタエチル-21H,23H-ポルフィリン-5-イル)-1,3-ブタジイニル]-21H,23H-ポルフィリン]
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
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
Molecular formula： C154H182N16
Molecular formula furigana： C154-H182-N16
Molecular weight： 2257.262
InChI：
InChI=1S/C154H182N16/c1-33-85-89(37-5)127-77-131-93(41-9)105(53-21)143(159-131)117(144-106(54-22)94(42-10)132(160-144)78-128-90(38-6)86(34-2)124(156-128)75-123(85)155-127)69-65-67-71-119-147-109(57-25)97(45-13)135(163-147)81-139-101(49-17)113(61-29)151(167-139)121(152-114(62-30)102(50-18)140(168-152)82-136-98(46-14)110(58-26)148(119)164-136)73-74-122-153-115(63-31)103(51-19)141(169-153)83-137-99(47-15)111(59-27)149(165-137)120(150-112(60-28)100(48-16)138(166-150)84-142-104(52-20)116(64-32)154(122)170-142)72-68-66-70-118-145-107(55-23)95(43-11)133(161-145)79-129-91(39-7)87(35-3)125(157-129)76-126-88(36-4)92(40-8)130(158-126)80-134-96(44-12)108(56-24)146(118)162-134/h75-84,155,157,160,162-163,165,168,170H,33-64,73-74H2,1-32H3/b123-75?,124-75-,125-76?,126-76?,127-77?,128-78?,129-79?,130-80?,131-77-,132-78-,133-79?,134-80?,135-81-,136-82-,137-83?,138-84?,139-81?,140-82?,141-83-,142-84-,143-117?,144-117+,145-118?,146-118?,147-119+,148-119?,149-120?,150-120+,151-121+,152-121?,153-122?,154-122+
InChI key：
PGBAATCBRAHZAJ-LPCSJWARSA-N
SMILES：
CCC1=C(CC)C2=Cc3[nH]c(c(CC)c3CC)C(=C3N=C(C=c4[nH]c(=CC1=N2)c(CC)c4CC)C(=C3CC)CC)C#CC#CC1=c2[nH]c(=CC3=NC(=C(c4[nH]c(C=C5N=C1C(=C5CC)CC)c(c4CC)CC)CCC1=c4[nH]c(=CC5=NC(=C(c6[nH]c(C=C7N=C1C(=C7CC)CC)c(c6CC)CC)C#CC#CC1=C6N=C(C=c7[nH]c(=CC8=NC(=Cc9[nH]c1c(CC)c9CC)C(=C8CC)CC)c(CC)c7CC)C(=C6CC)CC)C(=C5CC)CC)c(c4CC)CC)C(=C3CC)CC)c(c2CC)CC
Systematic name (4)：
- 5,5′-エチレンビス[15-[4-(2,3,7,8,12,13,17,18-オクタエチル-21H,23H-ポルフィリン-5-イル)-1,3-ブタジイン-1-イル]-2,3,7,8,12,13,17,18-オクタエチル-21H,23H-ポルフィリン]
- 1,2-ビス[2,3,7,8,12,13,17,18-オクタエチル-15-[4-(2,3,7,8,12,13,17,18-オクタエチル-21H,23H-ポルフィリン-5-イル)-1,3-ブタジイニル]-21H,23H-ポルフィリン-5-イル]エタン
- 5,5′-エチレンビス[2,3,7,8,12,13,17,18-オクタエチル-15-[4-(2,3,7,8,12,13,17,18-オクタエチル-21H,23H-ポルフィリン-5-イル)-1,3-ブタジイン-1-イル]-21H,23H-ポルフィリン]
- 5,5′-エチレンビス[2,3,7,8,12,13,17,18-オクタエチル-15-[4-(2,3,7,8,12,13,17,18-オクタエチル-21H,23H-ポルフィリン-5-イル)-1,3-ブタジイニル]-21H,23H-ポルフィリン]
- 5,5′-Ethylenebis[15-[4-(2,3,7,8,12,13,17,18-octaethyl-21H,23H-porphyrin-5-yl)-1,3-butadiyn-1-yl]-2,3,7,8,12,13,17,18-octaethyl-21H,23H-porphyrin]
- 1,2-Bis[2,3,7,8,12,13,17,18-octaethyl-15-[4-(2,3,7,8,12,13,17,18-octaethyl-21H,23H-porphyrin-5-yl)-1,3-butadiynyl]-21H,23H-porphyrin-5-yl]ethane
- 5,5′-Ethylenebis[2,3,7,8,12,13,17,18-octaethyl-15-[4-(2,3,7,8,12,13,17,18-octaethyl-21H,23H-porphyrin-5-yl)-1,3-butadiyn-1-yl]-21H,23H-porphyrin]
- 5,5′-Ethylenebis[2,3,7,8,12,13,17,18-octaethyl-15-[4-(2,3,7,8,12,13,17,18-octaethyl-21H,23H-porphyrin-5-yl)-1,3-butadiynyl]-21H,23H-porphyrin]
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