About 2-[(3-benzyl-1,3-dimethylindol-2-ylidene)methyl]-1,3,3-trimethylpyrrolo[2,3-b]pyridin-1-ium;1-butyl-5-[(4,5-diisocyanoimidazol-3-id-2-yl)diazenyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile;1-butyl-6-hydroxy-5-[(2-hydroxy-5-nitrophenyl)diazenyl]-3-isocyano-4-methylpyridin-2-one;1-butyl-6-hydroxy-5-[(2-hydroxy-5-nitrophenyl)diazenyl]-4-methyl-2-oxopyridine-3-carbonitrile;2-[(1-butyl-2-hydroxy-5-isocyano-4-methyl-6-oxo-3-pyridinyl)diazenyl]imidazol-3-ide-4,5-dicarbonitrile;cobalt;cobalt(2+);2-[[1-[4-[3,3-dimethyl-2-[(1,3,3-trimethylpyrrolo[2,3-b]pyridin-1-ium-2-yl)methylidene]indol-1-yl]butyl]-3,3-dimethylindol-2-ylidene]methyl]-1,3,3-trimethylpyrrolo[2,3-b]pyridin-1-ium
2-[(3-benzyl-1,3-dimethylindol-2-ylidene)methyl]-1,3,3-trimethylpyrrolo[2,3-b]pyridin-1-ium;1-butyl-5-[(4,5-diisocyanoimidazol-3-id-2-yl)diazenyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile;1-butyl-6-hydroxy-5-[(2-hydroxy-5-nitrophenyl)diazenyl]-3-isocyano-4-methylpyridin-2-one;1-butyl-6-hydroxy-5-[(2-hydroxy-5-nitrophenyl)diazenyl]-4-methyl-2-oxopyridine-3-carbonitrile;2-[(1-butyl-2-hydroxy-5-isocyano-4-methyl-6-oxo-3-pyridinyl)diazenyl]imidazol-3-ide-4,5-dicarbonitrile;cobalt;cobalt(2+);2-[[1-[4-[3,3-dimethyl-2-[(1,3,3-trimethylpyrrolo[2,3-b]pyridin-1-ium-2-yl)methylidene]indol-1-yl]butyl]-3,3-dimethylindol-2-ylidene]methyl]-1,3,3-trimethylpyrrolo[2,3-b]pyridin-1-ium (PubChem CID 159113941) has the molecular formula C140H144Co2N35O14+3
and a molecular weight of 2658.79 g/mol. Its IUPAC name is 2-[(3-benzyl-1,3-dimethylindol-2-ylidene)methyl]-1,3,3-trimethylpyrrolo[2,3-b]pyridin-1-ium;1-butyl-5-[(4,5-diisocyanoimidazol-3-id-2-yl)diazenyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile;1-butyl-6-hydroxy-5-[(2-hydroxy-5-nitrophenyl)diazenyl]-3-isocyano-4-methylpyridin-2-one;1-butyl-6-hydroxy-5-[(2-hydroxy-5-nitrophenyl)diazenyl]-4-methyl-2-oxopyridine-3-carbonitrile;2-[(1-butyl-2-hydroxy-5-isocyano-4-methyl-6-oxo-3-pyridinyl)diazenyl]imidazol-3-ide-4,5-dicarbonitrile;cobalt;cobalt(2+);2-[[1-[4-[3,3-dimethyl-2-[(1,3,3-trimethylpyrrolo[2,3-b]pyridin-1-ium-2-yl)methylidene]indol-1-yl]butyl]-3,3-dimethylindol-2-ylidene]methyl]-1,3,3-trimethylpyrrolo[2,3-b]pyridin-1-ium.
Frequently Asked Questions
What is the IUPAC name of 2-[(3-benzyl-1,3-dimethylindol-2-ylidene)methyl]-1,3,3-trimethylpyrrolo[2,3-b]pyridin-1-ium;1-butyl-5-[(4,5-diisocyanoimidazol-3-id-2-yl)diazenyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile;1-butyl-6-hydroxy-5-[(2-hydroxy-5-nitrophenyl)diazenyl]-3-isocyano-4-methylpyridin-2-one;1-butyl-6-hydroxy-5-[(2-hydroxy-5-nitrophenyl)diazenyl]-4-methyl-2-oxopyridine-3-carbonitrile;2-[(1-butyl-2-hydroxy-5-isocyano-4-methyl-6-oxo-3-pyridinyl)diazenyl]imidazol-3-ide-4,5-dicarbonitrile;cobalt;cobalt(2+);2-[[1-[4-[3,3-dimethyl-2-[(1,3,3-trimethylpyrrolo[2,3-b]pyridin-1-ium-2-yl)methylidene]indol-1-yl]butyl]-3,3-dimethylindol-2-ylidene]methyl]-1,3,3-trimethylpyrrolo[2,3-b]pyridin-1-ium?
The IUPAC name of 2-[(3-benzyl-1,3-dimethylindol-2-ylidene)methyl]-1,3,3-trimethylpyrrolo[2,3-b]pyridin-1-ium;1-butyl-5-[(4,5-diisocyanoimidazol-3-id-2-yl)diazenyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile;1-butyl-6-hydroxy-5-[(2-hydroxy-5-nitrophenyl)diazenyl]-3-isocyano-4-methylpyridin-2-one;1-butyl-6-hydroxy-5-[(2-hydroxy-5-nitrophenyl)diazenyl]-4-methyl-2-oxopyridine-3-carbonitrile;2-[(1-butyl-2-hydroxy-5-isocyano-4-methyl-6-oxo-3-pyridinyl)diazenyl]imidazol-3-ide-4,5-dicarbonitrile;cobalt;cobalt(2+);2-[[1-[4-[3,3-dimethyl-2-[(1,3,3-trimethylpyrrolo[2,3-b]pyridin-1-ium-2-yl)methylidene]indol-1-yl]butyl]-3,3-dimethylindol-2-ylidene]methyl]-1,3,3-trimethylpyrrolo[2,3-b]pyridin-1-ium (CID 159113941) is 2-[(3-benzyl-1,3-dimethylindol-2-ylidene)methyl]-1,3,3-trimethylpyrrolo[2,3-b]pyridin-1-ium;1-butyl-5-[(4,5-diisocyanoimidazol-3-id-2-yl)diazenyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile;1-butyl-6-hydroxy-5-[(2-hydroxy-5-nitrophenyl)diazenyl]-3-isocyano-4-methylpyridin-2-one;1-butyl-6-hydroxy-5-[(2-hydroxy-5-nitrophenyl)diazenyl]-4-methyl-2-oxopyridine-3-carbonitrile;2-[(1-butyl-2-hydroxy-5-isocyano-4-methyl-6-oxo-3-pyridinyl)diazenyl]imidazol-3-ide-4,5-dicarbonitrile;cobalt;cobalt(2+);2-[[1-[4-[3,3-dimethyl-2-[(1,3,3-trimethylpyrrolo[2,3-b]pyridin-1-ium-2-yl)methylidene]indol-1-yl]butyl]-3,3-dimethylindol-2-ylidene]methyl]-1,3,3-trimethylpyrrolo[2,3-b]pyridin-1-ium.
What is the SMILES notation for 2-[(3-benzyl-1,3-dimethylindol-2-ylidene)methyl]-1,3,3-trimethylpyrrolo[2,3-b]pyridin-1-ium;1-butyl-5-[(4,5-diisocyanoimidazol-3-id-2-yl)diazenyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile;1-butyl-6-hydroxy-5-[(2-hydroxy-5-nitrophenyl)diazenyl]-3-isocyano-4-methylpyridin-2-one;1-butyl-6-hydroxy-5-[(2-hydroxy-5-nitrophenyl)diazenyl]-4-methyl-2-oxopyridine-3-carbonitrile;2-[(1-butyl-2-hydroxy-5-isocyano-4-methyl-6-oxo-3-pyridinyl)diazenyl]imidazol-3-ide-4,5-dicarbonitrile;cobalt;cobalt(2+);2-[[1-[4-[3,3-dimethyl-2-[(1,3,3-trimethylpyrrolo[2,3-b]pyridin-1-ium-2-yl)methylidene]indol-1-yl]butyl]-3,3-dimethylindol-2-ylidene]methyl]-1,3,3-trimethylpyrrolo[2,3-b]pyridin-1-ium?
The canonical SMILES for 2-[(3-benzyl-1,3-dimethylindol-2-ylidene)methyl]-1,3,3-trimethylpyrrolo[2,3-b]pyridin-1-ium;1-butyl-5-[(4,5-diisocyanoimidazol-3-id-2-yl)diazenyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile;1-butyl-6-hydroxy-5-[(2-hydroxy-5-nitrophenyl)diazenyl]-3-isocyano-4-methylpyridin-2-one;1-butyl-6-hydroxy-5-[(2-hydroxy-5-nitrophenyl)diazenyl]-4-methyl-2-oxopyridine-3-carbonitrile;2-[(1-butyl-2-hydroxy-5-isocyano-4-methyl-6-oxo-3-pyridinyl)diazenyl]imidazol-3-ide-4,5-dicarbonitrile;cobalt;cobalt(2+);2-[[1-[4-[3,3-dimethyl-2-[(1,3,3-trimethylpyrrolo[2,3-b]pyridin-1-ium-2-yl)methylidene]indol-1-yl]butyl]-3,3-dimethylindol-2-ylidene]methyl]-1,3,3-trimethylpyrrolo[2,3-b]pyridin-1-ium is CCCCn1c(O)c(/N=N\c2cc([N+](=O)[O-])ccc2O)c(C)c(C#N)c1=O.CN1C(=CC2=[N+](C)c3ncccc3C2(C)C)C(C)(Cc2ccccc2)c2ccccc21.C[N+]1=C(C=C2N(CCCCN3C(=CC4=[N+](C)c5ncccc5C4(C)C)C(C)(C)c4ccccc43)c3ccccc3C2(C)C)C(C)(C)c2cccnc21.[C-]#[N+]c1c(C)c(/N=N\c2cc([N+](=O)[O-])ccc2O)c(O)n(CCCC)c1=O.[C-]#[N+]c1c(C)c(/N=N\c2nc(C#N)c(C#N)[n-]2)c(O)n(CCCC)c1=O.[C-]#[N+]c1nc(/N=N\c2c(C)c(C#N)c(=O)n(CCCC)c2O)[n-]c1[N+]#[C-].[Co+2].[Co].
What is the InChIKey of 2-[(3-benzyl-1,3-dimethylindol-2-ylidene)methyl]-1,3,3-trimethylpyrrolo[2,3-b]pyridin-1-ium;1-butyl-5-[(4,5-diisocyanoimidazol-3-id-2-yl)diazenyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile;1-butyl-6-hydroxy-5-[(2-hydroxy-5-nitrophenyl)diazenyl]-3-isocyano-4-methylpyridin-2-one;1-butyl-6-hydroxy-5-[(2-hydroxy-5-nitrophenyl)diazenyl]-4-methyl-2-oxopyridine-3-carbonitrile;2-[(1-butyl-2-hydroxy-5-isocyano-4-methyl-6-oxo-3-pyridinyl)diazenyl]imidazol-3-ide-4,5-dicarbonitrile;cobalt;cobalt(2+);2-[[1-[4-[3,3-dimethyl-2-[(1,3,3-trimethylpyrrolo[2,3-b]pyridin-1-ium-2-yl)methylidene]indol-1-yl]butyl]-3,3-dimethylindol-2-ylidene]methyl]-1,3,3-trimethylpyrrolo[2,3-b]pyridin-1-ium?
The InChIKey is LFKMUVDTDFVOQY-AVTHDVOHSA-L. The full InChI is InChI=1S/C46H54N6.C28H30N3.2C17H17N5O5.2C16H14N8O2.2Co/c1-43(2)31-19-11-13-23-35(31)51(39(43)29-37-45(5,6)33-21-17-25-47-41(33)49(37)9)27-15-16-28-52-36-24-14-12-20-32(36)44(3,4)40(52)30-38-46(7,8)34-22-18-26-48-42(34)50(38)10;1-27(2)22-15-11-17-29-26(22)31(5)24(27)18-25-28(3,19-20-12-7-6-8-13-20)21-14-9-10-16-23(21)30(25)4;1-4-5-8-21-16(24)14(18-3)10(2)15(17(21)25)20-19-12-9-11(22(26)27)6-7-13(12)23;1-3-4-7-21-16(24)12(9-18)10(2)15(17(21)25)20-19-13-8-11(22(26)27)5-6-14(13)23;1-5-6-7-24-14(25)10(8-17)9(2)11(15(24)26)22-23-16-20-12(18-3)13(19-4)21-16;1-4-5-6-24-14(25)12(19-3)9(2)13(15(24)26)22-23-16-20-10(7-17)11(8-18)21-16;;/h11-14,17-26,29-30H,15-16,27-28H2,1-10H3;6-18H,19H2,1-5H3;6-7,9,23,25H,4-5,8H2,1-2H3;5-6,8,23,25H,3-4,7H2,1-2H3;5-7H2,1-2H3,(H2,20,21,22,23,25,26);4-6H2,1-2H3,(H2,20,21,22,23,25,26);;/q+2;+1;;;;;;+2/p-2/b;;2*20-19-;;;;.
What are the key properties of 2-[(3-benzyl-1,3-dimethylindol-2-ylidene)methyl]-1,3,3-trimethylpyrrolo[2,3-b]pyridin-1-ium;1-butyl-5-[(4,5-diisocyanoimidazol-3-id-2-yl)diazenyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile;1-butyl-6-hydroxy-5-[(2-hydroxy-5-nitrophenyl)diazenyl]-3-isocyano-4-methylpyridin-2-one;1-butyl-6-hydroxy-5-[(2-hydroxy-5-nitrophenyl)diazenyl]-4-methyl-2-oxopyridine-3-carbonitrile;2-[(1-butyl-2-hydroxy-5-isocyano-4-methyl-6-oxo-3-pyridinyl)diazenyl]imidazol-3-ide-4,5-dicarbonitrile;cobalt;cobalt(2+);2-[[1-[4-[3,3-dimethyl-2-[(1,3,3-trimethylpyrrolo[2,3-b]pyridin-1-ium-2-yl)methylidene]indol-1-yl]butyl]-3,3-dimethylindol-2-ylidene]methyl]-1,3,3-trimethylpyrrolo[2,3-b]pyridin-1-ium?
2-[(3-benzyl-1,3-dimethylindol-2-ylidene)methyl]-1,3,3-trimethylpyrrolo[2,3-b]pyridin-1-ium;1-butyl-5-[(4,5-diisocyanoimidazol-3-id-2-yl)diazenyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile;1-butyl-6-hydroxy-5-[(2-hydroxy-5-nitrophenyl)diazenyl]-3-isocyano-4-methylpyridin-2-one;1-butyl-6-hydroxy-5-[(2-hydroxy-5-nitrophenyl)diazenyl]-4-methyl-2-oxopyridine-3-carbonitrile;2-[(1-butyl-2-hydroxy-5-isocyano-4-methyl-6-oxo-3-pyridinyl)diazenyl]imidazol-3-ide-4,5-dicarbonitrile;cobalt;cobalt(2+);2-[[1-[4-[3,3-dimethyl-2-[(1,3,3-trimethylpyrrolo[2,3-b]pyridin-1-ium-2-yl)methylidene]indol-1-yl]butyl]-3,3-dimethylindol-2-ylidene]methyl]-1,3,3-trimethylpyrrolo[2,3-b]pyridin-1-ium has a molecular weight of 2658.79 g/mol, XLogP of 28.88, 32 rotatable bonds, 6 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-benzyl-1,3-dimethylindol-2-ylidene)methyl]-1,3,3-trimethylpyrrolo[2,3-b]pyridin-1-ium;1-butyl-5-[(4,5-diisocyanoimidazol-3-id-2-yl)diazenyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile;1-butyl-6-hydroxy-5-[(2-hydroxy-5-nitrophenyl)diazenyl]-3-isocyano-4-methylpyridin-2-one;1-butyl-6-hydroxy-5-[(2-hydroxy-5-nitrophenyl)diazenyl]-4-methyl-2-oxopyridine-3-carbonitrile;2-[(1-butyl-2-hydroxy-5-isocyano-4-methyl-6-oxo-3-pyridinyl)diazenyl]imidazol-3-ide-4,5-dicarbonitrile;cobalt;cobalt(2+);2-[[1-[4-[3,3-dimethyl-2-[(1,3,3-trimethylpyrrolo[2,3-b]pyridin-1-ium-2-yl)methylidene]indol-1-yl]butyl]-3,3-dimethylindol-2-ylidene]methyl]-1,3,3-trimethylpyrrolo[2,3-b]pyridin-1-ium is sourced from PubChem (CID 159113941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).