Chem
J-GLOBAL ID：201507010762709965
Nikkaji number：J3.435.424C
6,6′-[10,20-Dimesityl-21H,23H-porphyrin-5,15-diylbis[4,4′-bis(methoxycarbonyl)-2,2′-bipyridine-6′,6-diyl(10,20-dimesityl-21H,23H-porphyrin-15,5-diyl)]]-2,2′-bipyridine-4,4′-dicarboxylic acid dimethyl ester
6,6′-[10,20-ジメシチル-21H,23H-ポルフィリン-5,15-ジイルビス[4,4′-ビス(メトキシカルボニル)-2,2′-ビピリジン-6′,6-ジイル(10,20-ジメシチル-21H,23H-ポルフィリン-15,5-ジイル)]]-2,2′-ビピリジン-4,4′-ジカルボン酸ジメチル
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： C156H126N18O12
Molecular formula furigana： C156-H126-N18-O12
Molecular weight： 2444.838
InChI：
InChI=1S/C156H126N18O12/c1-73-49-79(7)133(80(8)50-73)145-109-37-25-97(157-109)139-99-27-39-111(159-99)146(134-81(9)51-74(2)52-82(134)10)112-40-28-100(160-112)140(98-26-38-110(145)158-98)128-68-92(152(176)182-20)62-122(170-128)124-64-94(154(178)184-22)70-130(172-124)142-103-31-43-115(163-103)149(137-87(15)57-77(5)58-88(137)16)119-47-35-107(167-119)144(108-36-48-120(168-108)150(116-44-32-104(142)164-116)138-89(17)59-78(6)60-90(138)18)132-72-96(156(180)186-24)66-126(174-132)125-65-95(155(179)185-23)71-131(173-125)143-105-33-45-117(165-105)147(135-83(11)53-75(3)54-84(135)12)113-41-29-101(161-113)141(129-69-93(153(177)183-21)63-123(171-129)121-61-91(151(175)181-19)67-127(139)169-121)102-30-42-114(162-102)148(118-46-34-106(143)166-118)136-85(13)55-76(4)56-86(136)14/h25-72,157-158,161,163,165,167H,1-24H3/b139-97+,139-99+,140-98+,140-100+,141-101+,141-102+,142-103+,142-104+,143-105+,143-106+,144-107+,144-108+,145-109+,145-110+,146-111+,146-112+,147-113+,147-117+,148-114+,148-118+,149-115+,149-119+,150-116+,150-120+
InChI key：
NSRCOHXZCRDMDO-ZRFOIGDKSA-N
SMILES：
COC(=O)c1cc2nc(c1)/C/1=c/3\cc/c(=C(\c4c(C)cc(C)cc4C)/c4ccc([nH]4)/C(=C\4/C=CC(=N4)/C(=C\4/C=CC1=N4)/c1c(C)cc(C)cc1C)/c1cc(cc(n1)c1cc(cc(n1)/C/1=c/4\cc/c(=C(\c5c(C)cc(C)cc5C)/c5ccc([nH]5)/C(=C\5/C=CC(=N5)/C(=C\5/C=CC1=N5)/c1c(C)cc(C)cc1C)/c1cc(cc(n1)c1cc(cc(n1)/C/1=c/5\cc/c(=C(\c6c(C)cc(C)cc6C)/c6ccc([nH]6)/C(=C\6/C=CC(=N6)/C(=C\6/C=CC1=N6)/c1c(C)cc(C)cc1C)/c1cc(cc2n1)C(=O)OC)/[nH]5)C(=O)OC)C(=O)OC)/[nH]4)C(=O)OC)C(=O)OC)/[nH]3
Systematic name (1)：
- 6,6′-[10,20-ジメシチル-21H,23H-ポルフィリン-5,15-ジイルビス[4,4′-ビス(メトキシカルボニル)-2,2′-ビピリジン-6′,6-ジイル(10,20-ジメシチル-21H,23H-ポルフィリン-15,5-ジイル)]]-2,2′-ビピリジン-4,4′-ジカルボン酸ジメチル
- 6,6′-[10,20-Dimesityl-21H,23H-porphyrin-5,15-diylbis[4,4′-bis(methoxycarbonyl)-2,2′-bipyridine-6′,6-diyl(10,20-dimesityl-21H,23H-porphyrin-15,5-diyl)]]-2,2′-bipyridine-4,4′-dicarboxylic acid dimethyl ester
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