About 1-(2-ethoxyethyl)-4-[1-(2-ethynoxyethyl)pyridin-1-ium-4-yl]pyridin-1-ium;2-[3-ethyl-5-(1,1,3-trioxo-1-benzothiophen-2-ylidene)penta-1,3-dienyl]-1,1-dioxo-1-benzothiophen-3-olate;1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium;1-(2-methylpropyl)-4-[1-(2-methylpropyl)pyridin-1-ium-4-yl]pyridin-1-ium;tetrakis(2-[3-methyl-5-(1,1,3-trioxo-1-benzothiophen-2-ylidene)penta-1,3-dienyl]-1,1-dioxo-1-benzothiophen-3-olate);molecular hydrogen;1-(naphthalen-1-ylmethyl)-4-[1-(naphthalen-1-ylmethyl)pyridin-1-ium-4-yl]pyridin-1-ium;1-thiophen-2-yl-4-(1-thiophen-2-ylpyridin-1-ium-4-yl)pyridin-1-ium
1-(2-ethoxyethyl)-4-[1-(2-ethynoxyethyl)pyridin-1-ium-4-yl]pyridin-1-ium;2-[3-ethyl-5-(1,1,3-trioxo-1-benzothiophen-2-ylidene)penta-1,3-dienyl]-1,1-dioxo-1-benzothiophen-3-olate;1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium;1-(2-methylpropyl)-4-[1-(2-methylpropyl)pyridin-1-ium-4-yl]pyridin-1-ium;tetrakis(2-[3-methyl-5-(1,1,3-trioxo-1-benzothiophen-2-ylidene)penta-1,3-dienyl]-1,1-dioxo-1-benzothiophen-3-olate);molecular hydrogen;1-(naphthalen-1-ylmethyl)-4-[1-(naphthalen-1-ylmethyl)pyridin-1-ium-4-yl]pyridin-1-ium;1-thiophen-2-yl-4-(1-thiophen-2-ylpyridin-1-ium-4-yl)pyridin-1-ium (PubChem CID 159714401) has the molecular formula C209H183N10O32S12+5
and a molecular weight of 3731.60 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-4-[1-(2-ethynoxyethyl)pyridin-1-ium-4-yl]pyridin-1-ium;2-[3-ethyl-5-(1,1,3-trioxo-1-benzothiophen-2-ylidene)penta-1,3-dienyl]-1,1-dioxo-1-benzothiophen-3-olate;1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium;1-(2-methylpropyl)-4-[1-(2-methylpropyl)pyridin-1-ium-4-yl]pyridin-1-ium;tetrakis(2-[3-methyl-5-(1,1,3-trioxo-1-benzothiophen-2-ylidene)penta-1,3-dienyl]-1,1-dioxo-1-benzothiophen-3-olate);molecular hydrogen;1-(naphthalen-1-ylmethyl)-4-[1-(naphthalen-1-ylmethyl)pyridin-1-ium-4-yl]pyridin-1-ium;1-thiophen-2-yl-4-(1-thiophen-2-ylpyridin-1-ium-4-yl)pyridin-1-ium.
Frequently Asked Questions
What is the IUPAC name of 1-(2-ethoxyethyl)-4-[1-(2-ethynoxyethyl)pyridin-1-ium-4-yl]pyridin-1-ium;2-[3-ethyl-5-(1,1,3-trioxo-1-benzothiophen-2-ylidene)penta-1,3-dienyl]-1,1-dioxo-1-benzothiophen-3-olate;1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium;1-(2-methylpropyl)-4-[1-(2-methylpropyl)pyridin-1-ium-4-yl]pyridin-1-ium;tetrakis(2-[3-methyl-5-(1,1,3-trioxo-1-benzothiophen-2-ylidene)penta-1,3-dienyl]-1,1-dioxo-1-benzothiophen-3-olate);molecular hydrogen;1-(naphthalen-1-ylmethyl)-4-[1-(naphthalen-1-ylmethyl)pyridin-1-ium-4-yl]pyridin-1-ium;1-thiophen-2-yl-4-(1-thiophen-2-ylpyridin-1-ium-4-yl)pyridin-1-ium?
The IUPAC name of 1-(2-ethoxyethyl)-4-[1-(2-ethynoxyethyl)pyridin-1-ium-4-yl]pyridin-1-ium;2-[3-ethyl-5-(1,1,3-trioxo-1-benzothiophen-2-ylidene)penta-1,3-dienyl]-1,1-dioxo-1-benzothiophen-3-olate;1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium;1-(2-methylpropyl)-4-[1-(2-methylpropyl)pyridin-1-ium-4-yl]pyridin-1-ium;tetrakis(2-[3-methyl-5-(1,1,3-trioxo-1-benzothiophen-2-ylidene)penta-1,3-dienyl]-1,1-dioxo-1-benzothiophen-3-olate);molecular hydrogen;1-(naphthalen-1-ylmethyl)-4-[1-(naphthalen-1-ylmethyl)pyridin-1-ium-4-yl]pyridin-1-ium;1-thiophen-2-yl-4-(1-thiophen-2-ylpyridin-1-ium-4-yl)pyridin-1-ium (CID 159714401) is 1-(2-ethoxyethyl)-4-[1-(2-ethynoxyethyl)pyridin-1-ium-4-yl]pyridin-1-ium;2-[3-ethyl-5-(1,1,3-trioxo-1-benzothiophen-2-ylidene)penta-1,3-dienyl]-1,1-dioxo-1-benzothiophen-3-olate;1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium;1-(2-methylpropyl)-4-[1-(2-methylpropyl)pyridin-1-ium-4-yl]pyridin-1-ium;tetrakis(2-[3-methyl-5-(1,1,3-trioxo-1-benzothiophen-2-ylidene)penta-1,3-dienyl]-1,1-dioxo-1-benzothiophen-3-olate);molecular hydrogen;1-(naphthalen-1-ylmethyl)-4-[1-(naphthalen-1-ylmethyl)pyridin-1-ium-4-yl]pyridin-1-ium;1-thiophen-2-yl-4-(1-thiophen-2-ylpyridin-1-ium-4-yl)pyridin-1-ium.
What is the SMILES notation for 1-(2-ethoxyethyl)-4-[1-(2-ethynoxyethyl)pyridin-1-ium-4-yl]pyridin-1-ium;2-[3-ethyl-5-(1,1,3-trioxo-1-benzothiophen-2-ylidene)penta-1,3-dienyl]-1,1-dioxo-1-benzothiophen-3-olate;1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium;1-(2-methylpropyl)-4-[1-(2-methylpropyl)pyridin-1-ium-4-yl]pyridin-1-ium;tetrakis(2-[3-methyl-5-(1,1,3-trioxo-1-benzothiophen-2-ylidene)penta-1,3-dienyl]-1,1-dioxo-1-benzothiophen-3-olate);molecular hydrogen;1-(naphthalen-1-ylmethyl)-4-[1-(naphthalen-1-ylmethyl)pyridin-1-ium-4-yl]pyridin-1-ium;1-thiophen-2-yl-4-(1-thiophen-2-ylpyridin-1-ium-4-yl)pyridin-1-ium?
The canonical SMILES for 1-(2-ethoxyethyl)-4-[1-(2-ethynoxyethyl)pyridin-1-ium-4-yl]pyridin-1-ium;2-[3-ethyl-5-(1,1,3-trioxo-1-benzothiophen-2-ylidene)penta-1,3-dienyl]-1,1-dioxo-1-benzothiophen-3-olate;1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium;1-(2-methylpropyl)-4-[1-(2-methylpropyl)pyridin-1-ium-4-yl]pyridin-1-ium;tetrakis(2-[3-methyl-5-(1,1,3-trioxo-1-benzothiophen-2-ylidene)penta-1,3-dienyl]-1,1-dioxo-1-benzothiophen-3-olate);molecular hydrogen;1-(naphthalen-1-ylmethyl)-4-[1-(naphthalen-1-ylmethyl)pyridin-1-ium-4-yl]pyridin-1-ium;1-thiophen-2-yl-4-(1-thiophen-2-ylpyridin-1-ium-4-yl)pyridin-1-ium is C#COCC[n+]1ccc(-c2cc[n+](CCOCC)cc2)cc1.CC(C)C[n+]1ccc(-c2cc[n+](CC(C)C)cc2)cc1.CC(C=CC1=C([O-])c2ccccc2S1(=O)=O)=CC=C1C(=O)c2ccccc2S1(=O)=O.CC(C=CC1=C([O-])c2ccccc2S1(=O)=O)=CC=C1C(=O)c2ccccc2S1(=O)=O.CC(C=CC1=C([O-])c2ccccc2S1(=O)=O)=CC=C1C(=O)c2ccccc2S1(=O)=O.CC(C=CC1=C([O-])c2ccccc2S1(=O)=O)=CC=C1C(=O)c2ccccc2S1(=O)=O.CCC(C=CC1=C([O-])c2ccccc2S1(=O)=O)=CC=C1C(=O)c2ccccc2S1(=O)=O.C[n+]1ccc(-c2cc[n+](C)cc2)cc1.[H][H].[H][H].c1ccc2c(C[n+]3ccc(-c4cc[n+](Cc5cccc6ccccc56)cc4)cc3)cccc2c1.c1csc(-[n+]2ccc(-c3cc[n+](-c4cccs4)cc3)cc2)c1.
What is the InChIKey of 1-(2-ethoxyethyl)-4-[1-(2-ethynoxyethyl)pyridin-1-ium-4-yl]pyridin-1-ium;2-[3-ethyl-5-(1,1,3-trioxo-1-benzothiophen-2-ylidene)penta-1,3-dienyl]-1,1-dioxo-1-benzothiophen-3-olate;1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium;1-(2-methylpropyl)-4-[1-(2-methylpropyl)pyridin-1-ium-4-yl]pyridin-1-ium;tetrakis(2-[3-methyl-5-(1,1,3-trioxo-1-benzothiophen-2-ylidene)penta-1,3-dienyl]-1,1-dioxo-1-benzothiophen-3-olate);molecular hydrogen;1-(naphthalen-1-ylmethyl)-4-[1-(naphthalen-1-ylmethyl)pyridin-1-ium-4-yl]pyridin-1-ium;1-thiophen-2-yl-4-(1-thiophen-2-ylpyridin-1-ium-4-yl)pyridin-1-ium?
The InChIKey is MZGAEDQTHKUNIV-UHFFFAOYSA-I. The full InChI is InChI=1S/C32H26N2.C23H18O6S2.4C22H16O6S2.C18H22N2O2.C18H14N2S2.C18H26N2.C12H14N2.2H2/c1-3-13-31-27(7-1)9-5-11-29(31)23-33-19-15-25(16-20-33)26-17-21-34(22-18-26)24-30-12-6-10-28-8-2-4-14-32(28)30;1-2-15(11-13-20-22(24)16-7-3-5-9-18(16)30(20,26)27)12-14-21-23(25)17-8-4-6-10-19(17)31(21,28)29;4*1-14(10-12-19-21(23)15-6-2-4-8-17(15)29(19,25)26)11-13-20-22(24)16-7-3-5-9-18(16)30(20,27)28;1-3-21-15-13-19-9-5-17(6-10-19)18-7-11-20(12-8-18)14-16-22-4-2;1-3-17(21-13-1)19-9-5-15(6-10-19)16-7-11-20(12-8-16)18-4-2-14-22-18;1-15(2)13-19-9-5-17(6-10-19)18-7-11-20(12-8-18)14-16(3)4;1-13-7-3-11(4-8-13)12-5-9-14(2)10-6-12;;/h1-22H,23-24H2;3-14,24H,2H2,1H3;4*2-13,23H,1H3;1,5-12H,4,13-16H2,2H3;1-14H;5-12,15-16H,13-14H2,1-4H3;3-10H,1-2H3;2*1H/q+2;;;;;;4*+2;;/p-5.
What are the key properties of 1-(2-ethoxyethyl)-4-[1-(2-ethynoxyethyl)pyridin-1-ium-4-yl]pyridin-1-ium;2-[3-ethyl-5-(1,1,3-trioxo-1-benzothiophen-2-ylidene)penta-1,3-dienyl]-1,1-dioxo-1-benzothiophen-3-olate;1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium;1-(2-methylpropyl)-4-[1-(2-methylpropyl)pyridin-1-ium-4-yl]pyridin-1-ium;tetrakis(2-[3-methyl-5-(1,1,3-trioxo-1-benzothiophen-2-ylidene)penta-1,3-dienyl]-1,1-dioxo-1-benzothiophen-3-olate);molecular hydrogen;1-(naphthalen-1-ylmethyl)-4-[1-(naphthalen-1-ylmethyl)pyridin-1-ium-4-yl]pyridin-1-ium;1-thiophen-2-yl-4-(1-thiophen-2-ylpyridin-1-ium-4-yl)pyridin-1-ium?
1-(2-ethoxyethyl)-4-[1-(2-ethynoxyethyl)pyridin-1-ium-4-yl]pyridin-1-ium;2-[3-ethyl-5-(1,1,3-trioxo-1-benzothiophen-2-ylidene)penta-1,3-dienyl]-1,1-dioxo-1-benzothiophen-3-olate;1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium;1-(2-methylpropyl)-4-[1-(2-methylpropyl)pyridin-1-ium-4-yl]pyridin-1-ium;tetrakis(2-[3-methyl-5-(1,1,3-trioxo-1-benzothiophen-2-ylidene)penta-1,3-dienyl]-1,1-dioxo-1-benzothiophen-3-olate);molecular hydrogen;1-(naphthalen-1-ylmethyl)-4-[1-(naphthalen-1-ylmethyl)pyridin-1-ium-4-yl]pyridin-1-ium;1-thiophen-2-yl-4-(1-thiophen-2-ylpyridin-1-ium-4-yl)pyridin-1-ium has a molecular weight of 3731.60 g/mol, XLogP of 29.86, 38 rotatable bonds, 0 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)-4-[1-(2-ethynoxyethyl)pyridin-1-ium-4-yl]pyridin-1-ium;2-[3-ethyl-5-(1,1,3-trioxo-1-benzothiophen-2-ylidene)penta-1,3-dienyl]-1,1-dioxo-1-benzothiophen-3-olate;1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium;1-(2-methylpropyl)-4-[1-(2-methylpropyl)pyridin-1-ium-4-yl]pyridin-1-ium;tetrakis(2-[3-methyl-5-(1,1,3-trioxo-1-benzothiophen-2-ylidene)penta-1,3-dienyl]-1,1-dioxo-1-benzothiophen-3-olate);molecular hydrogen;1-(naphthalen-1-ylmethyl)-4-[1-(naphthalen-1-ylmethyl)pyridin-1-ium-4-yl]pyridin-1-ium;1-thiophen-2-yl-4-(1-thiophen-2-ylpyridin-1-ium-4-yl)pyridin-1-ium is sourced from PubChem (CID 159714401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).