1-cyclohexyl-4-(1-cyclohexylpyridin-1-ium-4-yl)pyridin-1-ium;1-(cyclohexylmethyl)-4-[1-(cyclohexylmethyl)pyridin-1-ium-4-yl]pyridin-1-ium;1-(3,3-dimethylbut-1-ynyl)-4-[1-(3,3-dimethylbut-1-ynyl)pyridin-1-ium-4-yl]pyridin-1-ium;tetrakis(1,1-dioxo-2-[3-phenyl-5-(1,1,3-trioxo-1-benzothiophen-2-ylidene)penta-1,3-dienyl]-1-benzothiophen-3-olate);methyl 3-[4-[1-(3-methoxy-3-oxoprop-1-ynyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]prop-2-ynoate;1-(2-methylprop-1-enyl)-4-[1-(2-methylprop-1-enyl)pyridin-1-ium-4-yl]pyridin-1-ium;molecular hydrogen;2-[3-phenyl-5-(1,1,3-trioxo-1-benzothiophen-2-ylidene)penta-1,3-dienyl]-1-benzothiophen-3-olate
C239H219N10O32S10+5 — CID 159475408
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC1-cyclohexyl-4-(1-cyclohexylpyridin-1-ium-4-yl)pyridin-1-ium;1-(cyclohexylmethyl)-4-[1-(cyclohexylmethyl)pyridin-1-ium-4-yl]pyridin-1-ium;1-(3,3-dimethylbut-1-ynyl)-4-[1-(3,3-dimethylbut-1-ynyl)pyridin-1-ium-4-yl]pyridin-1-ium;tetrakis(1,1-dioxo-2-[3-phenyl-5-(1,1,3-trioxo-1-benzothiophen-2-ylidene)penta-1,3-dienyl]-1-benzothiophen-3-olate);methyl 3-[4-[1-(3-methoxy-3-oxoprop-1-ynyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]prop-2-ynoate;1-(2-methylprop-1-enyl)-4-[1-(2-methylprop-1-enyl)pyridin-1-ium-4-yl]pyridin-1-ium;molecular hydrogen;2-[3-phenyl-5-(1,1,3-trioxo-1-benzothiophen-2-ylidene)penta-1,3-dienyl]-1-benzothiophen-3-olate
SMILESCC(C)(C)C#C[n+]1ccc(-c2cc[n+](C#CC(C)(C)C)cc2)cc1.CC(C)=C[n+]1ccc(-c2cc[n+](C=C(C)C)cc2)cc1.COC(=O)C#C[n+]1ccc(-c2cc[n+](C#CC(=O)OC)cc2)cc1.O=C1C(=CC=C(C=CC2=C([O-])c3ccccc3S2(=O)=O)c2ccccc2)S(=O)(=O)c2ccccc21.O=C1C(=CC=C(C=CC2=C([O-])c3ccccc3S2(=O)=O)c2ccccc2)S(=O)(=O)c2ccccc21.O=C1C(=CC=C(C=CC2=C([O-])c3ccccc3S2(=O)=O)c2ccccc2)S(=O)(=O)c2ccccc21.O=C1C(=CC=C(C=CC2=C([O-])c3ccccc3S2(=O)=O)c2ccccc2)S(=O)(=O)c2ccccc21.O=C1C(=CC=C(C=Cc2sc3ccccc3c2[O-])c2ccccc2)S(=O)(=O)c2ccccc21.[H][H].[H][H].[H][H].[H][H].c1c[n+](C2CCCCC2)ccc1-c1cc[n+](C2CCCCC2)cc1.c1c[n+](CC2CCCCC2)ccc1-c1cc[n+](CC2CCCCC2)cc1
InChIInChI=1S/4C27H18O6S2.C27H18O4S2.C24H34N2.C22H30N2.C22H26N2.C18H14N2O4.C18H22N2.4H2/c4*28-26-20-10-4-6-12-22(20)34(30,31)24(26)16-14-19(18-8-2-1-3-9-18)15-17-25-27(29)21-11-5-7-13-23(21)35(25,32)33;28-26-20-10-4-6-12-22(20)32-23(26)16-14-19(18-8-2-1-3-9-18)15-17-25-27(29)21-11-5-7-13-24(21)33(25,30)31;1-3-7-21(8-4-1)19-25-15-11-23(12-16-25)24-13-17-26(18-14-24)20-22-9-5-2-6-10-22;1-3-7-21(8-4-1)23-15-11-19(12-16-23)20-13-17-24(18-14-20)22-9-5-2-6-10-22;1-21(2,3)11-17-23-13-7-19(8-14-23)20-9-15-24(16-10-20)18-12-22(4,5)6;1-23-17(21)7-13-19-9-3-15(4-10-19)16-5-11-20(12-6-16)14-8-18(22)24-2;1-15(2)13-19-9-5-17(6-10-19)18-7-11-20(12-8-18)14-16(3)4;;;;/h4*1-17,28H;1-17,28H;11-18,21-22H,1-10,19-20H2;11-18,21-22H,1-10H2;7-10,13-16H,1-6H3;3-6,9-12H,1-2H3;5-14H,1-4H3;4*1H/q;;;;;5*+2;;;;/p-5
InChIKeyONSYFUHZHSRAFA-UHFFFAOYSA-I
MW4064.09 g/mol
LogP38.65
Rot. Bonds33
About 1-cyclohexyl-4-(1-cyclohexylpyridin-1-ium-4-yl)pyridin-1-ium;1-(cyclohexylmethyl)-4-[1-(cyclohexylmethyl)pyridin-1-ium-4-yl]pyridin-1-ium;1-(3,3-dimethylbut-1-ynyl)-4-[1-(3,3-dimethylbut-1-ynyl)pyridin-1-ium-4-yl]pyridin-1-ium;tetrakis(1,1-dioxo-2-[3-phenyl-5-(1,1,3-trioxo-1-benzothiophen-2-ylidene)penta-1,3-dienyl]-1-benzothiophen-3-olate);methyl 3-[4-[1-(3-methoxy-3-oxoprop-1-ynyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]prop-2-ynoate;1-(2-methylprop-1-enyl)-4-[1-(2-methylprop-1-enyl)pyridin-1-ium-4-yl]pyridin-1-ium;molecular hydrogen;2-[3-phenyl-5-(1,1,3-trioxo-1-benzothiophen-2-ylidene)penta-1,3-dienyl]-1-benzothiophen-3-olate
1-cyclohexyl-4-(1-cyclohexylpyridin-1-ium-4-yl)pyridin-1-ium;1-(cyclohexylmethyl)-4-[1-(cyclohexylmethyl)pyridin-1-ium-4-yl]pyridin-1-ium;1-(3,3-dimethylbut-1-ynyl)-4-[1-(3,3-dimethylbut-1-ynyl)pyridin-1-ium-4-yl]pyridin-1-ium;tetrakis(1,1-dioxo-2-[3-phenyl-5-(1,1,3-trioxo-1-benzothiophen-2-ylidene)penta-1,3-dienyl]-1-benzothiophen-3-olate);methyl 3-[4-[1-(3-methoxy-3-oxoprop-1-ynyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]prop-2-ynoate;1-(2-methylprop-1-enyl)-4-[1-(2-methylprop-1-enyl)pyridin-1-ium-4-yl]pyridin-1-ium;molecular hydrogen;2-[3-phenyl-5-(1,1,3-trioxo-1-benzothiophen-2-ylidene)penta-1,3-dienyl]-1-benzothiophen-3-olate (PubChem CID 159475408) has the molecular formula C239H219N10O32S10+5 and a molecular weight of 4064.09 g/mol. Its IUPAC name is 1-cyclohexyl-4-(1-cyclohexylpyridin-1-ium-4-yl)pyridin-1-ium;1-(cyclohexylmethyl)-4-[1-(cyclohexylmethyl)pyridin-1-ium-4-yl]pyridin-1-ium;1-(3,3-dimethylbut-1-ynyl)-4-[1-(3,3-dimethylbut-1-ynyl)pyridin-1-ium-4-yl]pyridin-1-ium;tetrakis(1,1-dioxo-2-[3-phenyl-5-(1,1,3-trioxo-1-benzothiophen-2-ylidene)penta-1,3-dienyl]-1-benzothiophen-3-olate);methyl 3-[4-[1-(3-methoxy-3-oxoprop-1-ynyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]prop-2-ynoate;1-(2-methylprop-1-enyl)-4-[1-(2-methylprop-1-enyl)pyridin-1-ium-4-yl]pyridin-1-ium;molecular hydrogen;2-[3-phenyl-5-(1,1,3-trioxo-1-benzothiophen-2-ylidene)penta-1,3-dienyl]-1-benzothiophen-3-olate.
Molecular Properties
| Compound Name | 1-cyclohexyl-4-(1-cyclohexylpyridin-1-ium-4-yl)pyridin-1-ium;1-(cyclohexylmethyl)-4-[1-(cyclohexylmethyl)pyridin-1-ium-4-yl]pyridin-1-ium;1-(3,3-dimethylbut-1-ynyl)-4-[1-(3,3-dimethylbut-1-ynyl)pyridin-1-ium-4-yl]pyridin-1-ium;tetrakis(1,1-dioxo-2-[3-phenyl-5-(1,1,3-trioxo-1-benzothiophen-2-ylidene)penta-1,3-dienyl]-1-benzothiophen-3-olate);methyl 3-[4-[1-(3-methoxy-3-oxoprop-1-ynyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]prop-2-ynoate;1-(2-methylprop-1-enyl)-4-[1-(2-methylprop-1-enyl)pyridin-1-ium-4-yl]pyridin-1-ium;molecular hydrogen;2-[3-phenyl-5-(1,1,3-trioxo-1-benzothiophen-2-ylidene)penta-1,3-dienyl]-1-benzothiophen-3-olate |
|---|---|
| PubChem CID | 159475408 |
| Molecular Formula | C239H219N10O32S10+5 |
| Molecular Weight | 4064.09 g/mol |
| Exact Mass | 4060.30 |
| IUPAC Name | 1-cyclohexyl-4-(1-cyclohexylpyridin-1-ium-4-yl)pyridin-1-ium;1-(cyclohexylmethyl)-4-[1-(cyclohexylmethyl)pyridin-1-ium-4-yl]pyridin-1-ium;1-(3,3-dimethylbut-1-ynyl)-4-[1-(3,3-dimethylbut-1-ynyl)pyridin-1-ium-4-yl]pyridin-1-ium;tetrakis(1,1-dioxo-2-[3-phenyl-5-(1,1,3-trioxo-1-benzothiophen-2-ylidene)penta-1,3-dienyl]-1-benzothiophen-3-olate);methyl 3-[4-[1-(3-methoxy-3-oxoprop-1-ynyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]prop-2-ynoate;1-(2-methylprop-1-enyl)-4-[1-(2-methylprop-1-enyl)pyridin-1-ium-4-yl]pyridin-1-ium;molecular hydrogen;2-[3-phenyl-5-(1,1,3-trioxo-1-benzothiophen-2-ylidene)penta-1,3-dienyl]-1-benzothiophen-3-olate |
| SMILES | CC(C)(C)C#C[n+]1ccc(-c2cc[n+](C#CC(C)(C)C)cc2)cc1.CC(C)=C[n+]1ccc(-c2cc[n+](C=C(C)C)cc2)cc1.COC(=O)C#C[n+]1ccc(-c2cc[n+](C#CC(=O)OC)cc2)cc1.O=C1C(=CC=C(C=CC2=C([O-])c3ccccc3S2(=O)=O)c2ccccc2)S(=O)(=O)c2ccccc21.O=C1C(=CC=C(C=CC2=C([O-])c3ccccc3S2(=O)=O)c2ccccc2)S(=O)(=O)c2ccccc21.O=C1C(=CC=C(C=CC2=C([O-])c3ccccc3S2(=O)=O)c2ccccc2)S(=O)(=O)c2ccccc21.O=C1C(=CC=C(C=CC2=C([O-])c3ccccc3S2(=O)=O)c2ccccc2)S(=O)(=O)c2ccccc21.O=C1C(=CC=C(C=Cc2sc3ccccc3c2[O-])c2ccccc2)S(=O)(=O)c2ccccc21.[H][H].[H][H].[H][H].[H][H].c1c[n+](C2CCCCC2)ccc1-c1cc[n+](C2CCCCC2)cc1.c1c[n+](CC2CCCCC2)ccc1-c1cc[n+](CC2CCCCC2)cc1 |
| InChI | InChI=1S/4C27H18O6S2.C27H18O4S2.C24H34N2.C22H30N2.C22H26N2.C18H14N2O4.C18H22N2.4H2/c4*28-26-20-10-4-6-12-22(20)34(30,31)24(26)16-14-19(18-8-2-1-3-9-18)15-17-25-27(29)21-11-5-7-13-23(21)35(25,32)33;28-26-20-10-4-6-12-22(20)32-23(26)16-14-19(18-8-2-1-3-9-18)15-17-25-27(29)21-11-5-7-13-24(21)33(25,30)31;1-3-7-21(8-4-1)19-25-15-11-23(12-16-25)24-13-17-26(18-14-24)20-22-9-5-2-6-10-22;1-3-7-21(8-4-1)23-15-11-19(12-16-23)20-13-17-24(18-14-20)22-9-5-2-6-10-22;1-21(2,3)11-17-23-13-7-19(8-14-23)20-9-15-24(16-10-20)18-12-22(4,5)6;1-23-17(21)7-13-19-9-3-15(4-10-19)16-5-11-20(12-6-16)14-8-18(22)24-2;1-15(2)13-19-9-5-17(6-10-19)18-7-11-20(12-8-18)14-16(3)4;;;;/h4*1-17,28H;1-17,28H;11-18,21-22H,1-10,19-20H2;11-18,21-22H,1-10H2;7-10,13-16H,1-6H3;3-6,9-12H,1-2H3;5-14H,1-4H3;4*1H/q;;;;;5*+2;;;;/p-5 |
| InChIKey | ONSYFUHZHSRAFA-UHFFFAOYSA-I |
| XLogP | 38.65 |
| TPSA | 599.31 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 33 |
| Rotatable Bonds | 33 |
| Heavy Atoms | 291 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4064.09 |
| LogP ≤ 5 | 38.65 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 33 |
Frequently Asked Questions
What is the IUPAC name of 1-cyclohexyl-4-(1-cyclohexylpyridin-1-ium-4-yl)pyridin-1-ium;1-(cyclohexylmethyl)-4-[1-(cyclohexylmethyl)pyridin-1-ium-4-yl]pyridin-1-ium;1-(3,3-dimethylbut-1-ynyl)-4-[1-(3,3-dimethylbut-1-ynyl)pyridin-1-ium-4-yl]pyridin-1-ium;tetrakis(1,1-dioxo-2-[3-phenyl-5-(1,1,3-trioxo-1-benzothiophen-2-ylidene)penta-1,3-dienyl]-1-benzothiophen-3-olate);methyl 3-[4-[1-(3-methoxy-3-oxoprop-1-ynyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]prop-2-ynoate;1-(2-methylprop-1-enyl)-4-[1-(2-methylprop-1-enyl)pyridin-1-ium-4-yl]pyridin-1-ium;molecular hydrogen;2-[3-phenyl-5-(1,1,3-trioxo-1-benzothiophen-2-ylidene)penta-1,3-dienyl]-1-benzothiophen-3-olate?
The IUPAC name of 1-cyclohexyl-4-(1-cyclohexylpyridin-1-ium-4-yl)pyridin-1-ium;1-(cyclohexylmethyl)-4-[1-(cyclohexylmethyl)pyridin-1-ium-4-yl]pyridin-1-ium;1-(3,3-dimethylbut-1-ynyl)-4-[1-(3,3-dimethylbut-1-ynyl)pyridin-1-ium-4-yl]pyridin-1-ium;tetrakis(1,1-dioxo-2-[3-phenyl-5-(1,1,3-trioxo-1-benzothiophen-2-ylidene)penta-1,3-dienyl]-1-benzothiophen-3-olate);methyl 3-[4-[1-(3-methoxy-3-oxoprop-1-ynyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]prop-2-ynoate;1-(2-methylprop-1-enyl)-4-[1-(2-methylprop-1-enyl)pyridin-1-ium-4-yl]pyridin-1-ium;molecular hydrogen;2-[3-phenyl-5-(1,1,3-trioxo-1-benzothiophen-2-ylidene)penta-1,3-dienyl]-1-benzothiophen-3-olate (CID 159475408) is 1-cyclohexyl-4-(1-cyclohexylpyridin-1-ium-4-yl)pyridin-1-ium;1-(cyclohexylmethyl)-4-[1-(cyclohexylmethyl)pyridin-1-ium-4-yl]pyridin-1-ium;1-(3,3-dimethylbut-1-ynyl)-4-[1-(3,3-dimethylbut-1-ynyl)pyridin-1-ium-4-yl]pyridin-1-ium;tetrakis(1,1-dioxo-2-[3-phenyl-5-(1,1,3-trioxo-1-benzothiophen-2-ylidene)penta-1,3-dienyl]-1-benzothiophen-3-olate);methyl 3-[4-[1-(3-methoxy-3-oxoprop-1-ynyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]prop-2-ynoate;1-(2-methylprop-1-enyl)-4-[1-(2-methylprop-1-enyl)pyridin-1-ium-4-yl]pyridin-1-ium;molecular hydrogen;2-[3-phenyl-5-(1,1,3-trioxo-1-benzothiophen-2-ylidene)penta-1,3-dienyl]-1-benzothiophen-3-olate.
What is the SMILES notation for 1-cyclohexyl-4-(1-cyclohexylpyridin-1-ium-4-yl)pyridin-1-ium;1-(cyclohexylmethyl)-4-[1-(cyclohexylmethyl)pyridin-1-ium-4-yl]pyridin-1-ium;1-(3,3-dimethylbut-1-ynyl)-4-[1-(3,3-dimethylbut-1-ynyl)pyridin-1-ium-4-yl]pyridin-1-ium;tetrakis(1,1-dioxo-2-[3-phenyl-5-(1,1,3-trioxo-1-benzothiophen-2-ylidene)penta-1,3-dienyl]-1-benzothiophen-3-olate);methyl 3-[4-[1-(3-methoxy-3-oxoprop-1-ynyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]prop-2-ynoate;1-(2-methylprop-1-enyl)-4-[1-(2-methylprop-1-enyl)pyridin-1-ium-4-yl]pyridin-1-ium;molecular hydrogen;2-[3-phenyl-5-(1,1,3-trioxo-1-benzothiophen-2-ylidene)penta-1,3-dienyl]-1-benzothiophen-3-olate?
The canonical SMILES for 1-cyclohexyl-4-(1-cyclohexylpyridin-1-ium-4-yl)pyridin-1-ium;1-(cyclohexylmethyl)-4-[1-(cyclohexylmethyl)pyridin-1-ium-4-yl]pyridin-1-ium;1-(3,3-dimethylbut-1-ynyl)-4-[1-(3,3-dimethylbut-1-ynyl)pyridin-1-ium-4-yl]pyridin-1-ium;tetrakis(1,1-dioxo-2-[3-phenyl-5-(1,1,3-trioxo-1-benzothiophen-2-ylidene)penta-1,3-dienyl]-1-benzothiophen-3-olate);methyl 3-[4-[1-(3-methoxy-3-oxoprop-1-ynyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]prop-2-ynoate;1-(2-methylprop-1-enyl)-4-[1-(2-methylprop-1-enyl)pyridin-1-ium-4-yl]pyridin-1-ium;molecular hydrogen;2-[3-phenyl-5-(1,1,3-trioxo-1-benzothiophen-2-ylidene)penta-1,3-dienyl]-1-benzothiophen-3-olate is CC(C)(C)C#C[n+]1ccc(-c2cc[n+](C#CC(C)(C)C)cc2)cc1.CC(C)=C[n+]1ccc(-c2cc[n+](C=C(C)C)cc2)cc1.COC(=O)C#C[n+]1ccc(-c2cc[n+](C#CC(=O)OC)cc2)cc1.O=C1C(=CC=C(C=CC2=C([O-])c3ccccc3S2(=O)=O)c2ccccc2)S(=O)(=O)c2ccccc21.O=C1C(=CC=C(C=CC2=C([O-])c3ccccc3S2(=O)=O)c2ccccc2)S(=O)(=O)c2ccccc21.O=C1C(=CC=C(C=CC2=C([O-])c3ccccc3S2(=O)=O)c2ccccc2)S(=O)(=O)c2ccccc21.O=C1C(=CC=C(C=CC2=C([O-])c3ccccc3S2(=O)=O)c2ccccc2)S(=O)(=O)c2ccccc21.O=C1C(=CC=C(C=Cc2sc3ccccc3c2[O-])c2ccccc2)S(=O)(=O)c2ccccc21.[H][H].[H][H].[H][H].[H][H].c1c[n+](C2CCCCC2)ccc1-c1cc[n+](C2CCCCC2)cc1.c1c[n+](CC2CCCCC2)ccc1-c1cc[n+](CC2CCCCC2)cc1.
What is the InChIKey of 1-cyclohexyl-4-(1-cyclohexylpyridin-1-ium-4-yl)pyridin-1-ium;1-(cyclohexylmethyl)-4-[1-(cyclohexylmethyl)pyridin-1-ium-4-yl]pyridin-1-ium;1-(3,3-dimethylbut-1-ynyl)-4-[1-(3,3-dimethylbut-1-ynyl)pyridin-1-ium-4-yl]pyridin-1-ium;tetrakis(1,1-dioxo-2-[3-phenyl-5-(1,1,3-trioxo-1-benzothiophen-2-ylidene)penta-1,3-dienyl]-1-benzothiophen-3-olate);methyl 3-[4-[1-(3-methoxy-3-oxoprop-1-ynyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]prop-2-ynoate;1-(2-methylprop-1-enyl)-4-[1-(2-methylprop-1-enyl)pyridin-1-ium-4-yl]pyridin-1-ium;molecular hydrogen;2-[3-phenyl-5-(1,1,3-trioxo-1-benzothiophen-2-ylidene)penta-1,3-dienyl]-1-benzothiophen-3-olate?
The InChIKey is ONSYFUHZHSRAFA-UHFFFAOYSA-I. The full InChI is InChI=1S/4C27H18O6S2.C27H18O4S2.C24H34N2.C22H30N2.C22H26N2.C18H14N2O4.C18H22N2.4H2/c4*28-26-20-10-4-6-12-22(20)34(30,31)24(26)16-14-19(18-8-2-1-3-9-18)15-17-25-27(29)21-11-5-7-13-23(21)35(25,32)33;28-26-20-10-4-6-12-22(20)32-23(26)16-14-19(18-8-2-1-3-9-18)15-17-25-27(29)21-11-5-7-13-24(21)33(25,30)31;1-3-7-21(8-4-1)19-25-15-11-23(12-16-25)24-13-17-26(18-14-24)20-22-9-5-2-6-10-22;1-3-7-21(8-4-1)23-15-11-19(12-16-23)20-13-17-24(18-14-20)22-9-5-2-6-10-22;1-21(2,3)11-17-23-13-7-19(8-14-23)20-9-15-24(16-10-20)18-12-22(4,5)6;1-23-17(21)7-13-19-9-3-15(4-10-19)16-5-11-20(12-6-16)14-8-18(22)24-2;1-15(2)13-19-9-5-17(6-10-19)18-7-11-20(12-8-18)14-16(3)4;;;;/h4*1-17,28H;1-17,28H;11-18,21-22H,1-10,19-20H2;11-18,21-22H,1-10H2;7-10,13-16H,1-6H3;3-6,9-12H,1-2H3;5-14H,1-4H3;4*1H/q;;;;;5*+2;;;;/p-5.
What are the key properties of 1-cyclohexyl-4-(1-cyclohexylpyridin-1-ium-4-yl)pyridin-1-ium;1-(cyclohexylmethyl)-4-[1-(cyclohexylmethyl)pyridin-1-ium-4-yl]pyridin-1-ium;1-(3,3-dimethylbut-1-ynyl)-4-[1-(3,3-dimethylbut-1-ynyl)pyridin-1-ium-4-yl]pyridin-1-ium;tetrakis(1,1-dioxo-2-[3-phenyl-5-(1,1,3-trioxo-1-benzothiophen-2-ylidene)penta-1,3-dienyl]-1-benzothiophen-3-olate);methyl 3-[4-[1-(3-methoxy-3-oxoprop-1-ynyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]prop-2-ynoate;1-(2-methylprop-1-enyl)-4-[1-(2-methylprop-1-enyl)pyridin-1-ium-4-yl]pyridin-1-ium;molecular hydrogen;2-[3-phenyl-5-(1,1,3-trioxo-1-benzothiophen-2-ylidene)penta-1,3-dienyl]-1-benzothiophen-3-olate?
1-cyclohexyl-4-(1-cyclohexylpyridin-1-ium-4-yl)pyridin-1-ium;1-(cyclohexylmethyl)-4-[1-(cyclohexylmethyl)pyridin-1-ium-4-yl]pyridin-1-ium;1-(3,3-dimethylbut-1-ynyl)-4-[1-(3,3-dimethylbut-1-ynyl)pyridin-1-ium-4-yl]pyridin-1-ium;tetrakis(1,1-dioxo-2-[3-phenyl-5-(1,1,3-trioxo-1-benzothiophen-2-ylidene)penta-1,3-dienyl]-1-benzothiophen-3-olate);methyl 3-[4-[1-(3-methoxy-3-oxoprop-1-ynyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]prop-2-ynoate;1-(2-methylprop-1-enyl)-4-[1-(2-methylprop-1-enyl)pyridin-1-ium-4-yl]pyridin-1-ium;molecular hydrogen;2-[3-phenyl-5-(1,1,3-trioxo-1-benzothiophen-2-ylidene)penta-1,3-dienyl]-1-benzothiophen-3-olate has a molecular weight of 4064.09 g/mol, XLogP of 38.65, 33 rotatable bonds, 0 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-(1-cyclohexylpyridin-1-ium-4-yl)pyridin-1-ium;1-(cyclohexylmethyl)-4-[1-(cyclohexylmethyl)pyridin-1-ium-4-yl]pyridin-1-ium;1-(3,3-dimethylbut-1-ynyl)-4-[1-(3,3-dimethylbut-1-ynyl)pyridin-1-ium-4-yl]pyridin-1-ium;tetrakis(1,1-dioxo-2-[3-phenyl-5-(1,1,3-trioxo-1-benzothiophen-2-ylidene)penta-1,3-dienyl]-1-benzothiophen-3-olate);methyl 3-[4-[1-(3-methoxy-3-oxoprop-1-ynyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]prop-2-ynoate;1-(2-methylprop-1-enyl)-4-[1-(2-methylprop-1-enyl)pyridin-1-ium-4-yl]pyridin-1-ium;molecular hydrogen;2-[3-phenyl-5-(1,1,3-trioxo-1-benzothiophen-2-ylidene)penta-1,3-dienyl]-1-benzothiophen-3-olate is sourced from PubChem (CID 159475408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 159475408 — identifiers, structure, computed properties (public domain)
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