About 5-[[16-[(5-cyano-1,4-dimethyl-2,6-dioxo-3-pyridinylidene)amino]-5,5,17,17-tetramethyl-11-thiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,6,8,13,15,18-octaen-6-yl]imino]-1,4-dimethyl-2,6-dioxopyridine-3-carbonitrile;2-[5-[16-[5-(dicyanomethylideneamino)-3-methoxythiophen-2-yl]-5,5,17,17-tetramethyl-11-thiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,6,8,13,15,18-octaen-6-yl]-4-methoxythiophen-2-yl]iminopropanedinitrile;2-[5-[16-[5-(dicyanomethylideneamino)-3-propoxythiophen-2-yl]-5,5,17,17-tetramethyl-11-thiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,6,8,13,15,18-octaen-6-yl]-4-propoxythiophen-2-yl]iminopropanedinitrile;2-[5-[[16-[[2-(dicyanomethylidene)-3-ethyl-4-oxo-1,3-thiazolidin-5-ylidene]amino]-5,5,17,17-tetramethyl-11-thiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,6,8,13,15,18-octaen-6-yl]imino]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile;2-[2-[[16-[[1-(dicyanomethylidene)-3-oxoinden-2-ylidene]amino]-5,5,17,17-tetramethyl-11-thiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,6,8,13,15,18-octaen-6-yl]imino]-3-oxoinden-1-ylidene]propanedinitrile;(3Z)-3-[[16-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]-5,5,17,17-tetramethyl-11-thiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,6,8,13,15,18-octaen-6-yl]methylidene]-5,7-difluoroindene-1,2-dione;ethane;3-ethyl-5-[[16-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)amino]-5,5,17,17-tetramethyl-11-thiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,6,8,13,15,18-octaen-6-yl]imino]-2-sulfanylidene-1,3-thiazolidin-4-one;1,1,1-trifluoroethane
5-[[16-[(5-cyano-1,4-dimethyl-2,6-dioxo-3-pyridinylidene)amino]-5,5,17,17-tetramethyl-11-thiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,6,8,13,15,18-octaen-6-yl]imino]-1,4-dimethyl-2,6-dioxopyridine-3-carbonitrile;2-[5-[16-[5-(dicyanomethylideneamino)-3-methoxythiophen-2-yl]-5,5,17,17-tetramethyl-11-thiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,6,8,13,15,18-octaen-6-yl]-4-methoxythiophen-2-yl]iminopropanedinitrile;2-[5-[16-[5-(dicyanomethylideneamino)-3-propoxythiophen-2-yl]-5,5,17,17-tetramethyl-11-thiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,6,8,13,15,18-octaen-6-yl]-4-propoxythiophen-2-yl]iminopropanedinitrile;2-[5-[[16-[[2-(dicyanomethylidene)-3-ethyl-4-oxo-1,3-thiazolidin-5-ylidene]amino]-5,5,17,17-tetramethyl-11-thiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,6,8,13,15,18-octaen-6-yl]imino]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile;2-[2-[[16-[[1-(dicyanomethylidene)-3-oxoinden-2-ylidene]amino]-5,5,17,17-tetramethyl-11-thiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,6,8,13,15,18-octaen-6-yl]imino]-3-oxoinden-1-ylidene]propanedinitrile;(3Z)-3-[[16-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]-5,5,17,17-tetramethyl-11-thiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,6,8,13,15,18-octaen-6-yl]methylidene]-5,7-difluoroindene-1,2-dione;ethane;3-ethyl-5-[[16-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)amino]-5,5,17,17-tetramethyl-11-thiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,6,8,13,15,18-octaen-6-yl]imino]-2-sulfanylidene-1,3-thiazolidin-4-one;1,1,1-trifluoroethane (PubChem CID 164951007) has the molecular formula C280H205F7N36O18S17
and a molecular weight of 5040.08 g/mol. Its IUPAC name is 5-[[16-[(5-cyano-1,4-dimethyl-2,6-dioxo-3-pyridinylidene)amino]-5,5,17,17-tetramethyl-11-thiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,6,8,13,15,18-octaen-6-yl]imino]-1,4-dimethyl-2,6-dioxopyridine-3-carbonitrile;2-[5-[16-[5-(dicyanomethylideneamino)-3-methoxythiophen-2-yl]-5,5,17,17-tetramethyl-11-thiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,6,8,13,15,18-octaen-6-yl]-4-methoxythiophen-2-yl]iminopropanedinitrile;2-[5-[16-[5-(dicyanomethylideneamino)-3-propoxythiophen-2-yl]-5,5,17,17-tetramethyl-11-thiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,6,8,13,15,18-octaen-6-yl]-4-propoxythiophen-2-yl]iminopropanedinitrile;2-[5-[[16-[[2-(dicyanomethylidene)-3-ethyl-4-oxo-1,3-thiazolidin-5-ylidene]amino]-5,5,17,17-tetramethyl-11-thiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,6,8,13,15,18-octaen-6-yl]imino]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile;2-[2-[[16-[[1-(dicyanomethylidene)-3-oxoinden-2-ylidene]amino]-5,5,17,17-tetramethyl-11-thiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,6,8,13,15,18-octaen-6-yl]imino]-3-oxoinden-1-ylidene]propanedinitrile;(3Z)-3-[[16-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]-5,5,17,17-tetramethyl-11-thiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,6,8,13,15,18-octaen-6-yl]methylidene]-5,7-difluoroindene-1,2-dione;ethane;3-ethyl-5-[[16-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)amino]-5,5,17,17-tetramethyl-11-thiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,6,8,13,15,18-octaen-6-yl]imino]-2-sulfanylidene-1,3-thiazolidin-4-one;1,1,1-trifluoroethane.
Frequently Asked Questions
What is the IUPAC name of 5-[[16-[(5-cyano-1,4-dimethyl-2,6-dioxo-3-pyridinylidene)amino]-5,5,17,17-tetramethyl-11-thiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,6,8,13,15,18-octaen-6-yl]imino]-1,4-dimethyl-2,6-dioxopyridine-3-carbonitrile;2-[5-[16-[5-(dicyanomethylideneamino)-3-methoxythiophen-2-yl]-5,5,17,17-tetramethyl-11-thiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,6,8,13,15,18-octaen-6-yl]-4-methoxythiophen-2-yl]iminopropanedinitrile;2-[5-[16-[5-(dicyanomethylideneamino)-3-propoxythiophen-2-yl]-5,5,17,17-tetramethyl-11-thiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,6,8,13,15,18-octaen-6-yl]-4-propoxythiophen-2-yl]iminopropanedinitrile;2-[5-[[16-[[2-(dicyanomethylidene)-3-ethyl-4-oxo-1,3-thiazolidin-5-ylidene]amino]-5,5,17,17-tetramethyl-11-thiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,6,8,13,15,18-octaen-6-yl]imino]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile;2-[2-[[16-[[1-(dicyanomethylidene)-3-oxoinden-2-ylidene]amino]-5,5,17,17-tetramethyl-11-thiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,6,8,13,15,18-octaen-6-yl]imino]-3-oxoinden-1-ylidene]propanedinitrile;(3Z)-3-[[16-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]-5,5,17,17-tetramethyl-11-thiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,6,8,13,15,18-octaen-6-yl]methylidene]-5,7-difluoroindene-1,2-dione;ethane;3-ethyl-5-[[16-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)amino]-5,5,17,17-tetramethyl-11-thiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,6,8,13,15,18-octaen-6-yl]imino]-2-sulfanylidene-1,3-thiazolidin-4-one;1,1,1-trifluoroethane?
The IUPAC name of 5-[[16-[(5-cyano-1,4-dimethyl-2,6-dioxo-3-pyridinylidene)amino]-5,5,17,17-tetramethyl-11-thiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,6,8,13,15,18-octaen-6-yl]imino]-1,4-dimethyl-2,6-dioxopyridine-3-carbonitrile;2-[5-[16-[5-(dicyanomethylideneamino)-3-methoxythiophen-2-yl]-5,5,17,17-tetramethyl-11-thiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,6,8,13,15,18-octaen-6-yl]-4-methoxythiophen-2-yl]iminopropanedinitrile;2-[5-[16-[5-(dicyanomethylideneamino)-3-propoxythiophen-2-yl]-5,5,17,17-tetramethyl-11-thiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,6,8,13,15,18-octaen-6-yl]-4-propoxythiophen-2-yl]iminopropanedinitrile;2-[5-[[16-[[2-(dicyanomethylidene)-3-ethyl-4-oxo-1,3-thiazolidin-5-ylidene]amino]-5,5,17,17-tetramethyl-11-thiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,6,8,13,15,18-octaen-6-yl]imino]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile;2-[2-[[16-[[1-(dicyanomethylidene)-3-oxoinden-2-ylidene]amino]-5,5,17,17-tetramethyl-11-thiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,6,8,13,15,18-octaen-6-yl]imino]-3-oxoinden-1-ylidene]propanedinitrile;(3Z)-3-[[16-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]-5,5,17,17-tetramethyl-11-thiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,6,8,13,15,18-octaen-6-yl]methylidene]-5,7-difluoroindene-1,2-dione;ethane;3-ethyl-5-[[16-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)amino]-5,5,17,17-tetramethyl-11-thiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,6,8,13,15,18-octaen-6-yl]imino]-2-sulfanylidene-1,3-thiazolidin-4-one;1,1,1-trifluoroethane (CID 164951007) is 5-[[16-[(5-cyano-1,4-dimethyl-2,6-dioxo-3-pyridinylidene)amino]-5,5,17,17-tetramethyl-11-thiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,6,8,13,15,18-octaen-6-yl]imino]-1,4-dimethyl-2,6-dioxopyridine-3-carbonitrile;2-[5-[16-[5-(dicyanomethylideneamino)-3-methoxythiophen-2-yl]-5,5,17,17-tetramethyl-11-thiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,6,8,13,15,18-octaen-6-yl]-4-methoxythiophen-2-yl]iminopropanedinitrile;2-[5-[16-[5-(dicyanomethylideneamino)-3-propoxythiophen-2-yl]-5,5,17,17-tetramethyl-11-thiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,6,8,13,15,18-octaen-6-yl]-4-propoxythiophen-2-yl]iminopropanedinitrile;2-[5-[[16-[[2-(dicyanomethylidene)-3-ethyl-4-oxo-1,3-thiazolidin-5-ylidene]amino]-5,5,17,17-tetramethyl-11-thiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,6,8,13,15,18-octaen-6-yl]imino]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile;2-[2-[[16-[[1-(dicyanomethylidene)-3-oxoinden-2-ylidene]amino]-5,5,17,17-tetramethyl-11-thiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,6,8,13,15,18-octaen-6-yl]imino]-3-oxoinden-1-ylidene]propanedinitrile;(3Z)-3-[[16-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]-5,5,17,17-tetramethyl-11-thiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,6,8,13,15,18-octaen-6-yl]methylidene]-5,7-difluoroindene-1,2-dione;ethane;3-ethyl-5-[[16-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)amino]-5,5,17,17-tetramethyl-11-thiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,6,8,13,15,18-octaen-6-yl]imino]-2-sulfanylidene-1,3-thiazolidin-4-one;1,1,1-trifluoroethane.
What is the SMILES notation for 5-[[16-[(5-cyano-1,4-dimethyl-2,6-dioxo-3-pyridinylidene)amino]-5,5,17,17-tetramethyl-11-thiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,6,8,13,15,18-octaen-6-yl]imino]-1,4-dimethyl-2,6-dioxopyridine-3-carbonitrile;2-[5-[16-[5-(dicyanomethylideneamino)-3-methoxythiophen-2-yl]-5,5,17,17-tetramethyl-11-thiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,6,8,13,15,18-octaen-6-yl]-4-methoxythiophen-2-yl]iminopropanedinitrile;2-[5-[16-[5-(dicyanomethylideneamino)-3-propoxythiophen-2-yl]-5,5,17,17-tetramethyl-11-thiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,6,8,13,15,18-octaen-6-yl]-4-propoxythiophen-2-yl]iminopropanedinitrile;2-[5-[[16-[[2-(dicyanomethylidene)-3-ethyl-4-oxo-1,3-thiazolidin-5-ylidene]amino]-5,5,17,17-tetramethyl-11-thiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,6,8,13,15,18-octaen-6-yl]imino]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile;2-[2-[[16-[[1-(dicyanomethylidene)-3-oxoinden-2-ylidene]amino]-5,5,17,17-tetramethyl-11-thiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,6,8,13,15,18-octaen-6-yl]imino]-3-oxoinden-1-ylidene]propanedinitrile;(3Z)-3-[[16-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]-5,5,17,17-tetramethyl-11-thiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,6,8,13,15,18-octaen-6-yl]methylidene]-5,7-difluoroindene-1,2-dione;ethane;3-ethyl-5-[[16-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)amino]-5,5,17,17-tetramethyl-11-thiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,6,8,13,15,18-octaen-6-yl]imino]-2-sulfanylidene-1,3-thiazolidin-4-one;1,1,1-trifluoroethane?
The canonical SMILES for 5-[[16-[(5-cyano-1,4-dimethyl-2,6-dioxo-3-pyridinylidene)amino]-5,5,17,17-tetramethyl-11-thiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,6,8,13,15,18-octaen-6-yl]imino]-1,4-dimethyl-2,6-dioxopyridine-3-carbonitrile;2-[5-[16-[5-(dicyanomethylideneamino)-3-methoxythiophen-2-yl]-5,5,17,17-tetramethyl-11-thiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,6,8,13,15,18-octaen-6-yl]-4-methoxythiophen-2-yl]iminopropanedinitrile;2-[5-[16-[5-(dicyanomethylideneamino)-3-propoxythiophen-2-yl]-5,5,17,17-tetramethyl-11-thiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,6,8,13,15,18-octaen-6-yl]-4-propoxythiophen-2-yl]iminopropanedinitrile;2-[5-[[16-[[2-(dicyanomethylidene)-3-ethyl-4-oxo-1,3-thiazolidin-5-ylidene]amino]-5,5,17,17-tetramethyl-11-thiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,6,8,13,15,18-octaen-6-yl]imino]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile;2-[2-[[16-[[1-(dicyanomethylidene)-3-oxoinden-2-ylidene]amino]-5,5,17,17-tetramethyl-11-thiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,6,8,13,15,18-octaen-6-yl]imino]-3-oxoinden-1-ylidene]propanedinitrile;(3Z)-3-[[16-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]-5,5,17,17-tetramethyl-11-thiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,6,8,13,15,18-octaen-6-yl]methylidene]-5,7-difluoroindene-1,2-dione;ethane;3-ethyl-5-[[16-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)amino]-5,5,17,17-tetramethyl-11-thiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,6,8,13,15,18-octaen-6-yl]imino]-2-sulfanylidene-1,3-thiazolidin-4-one;1,1,1-trifluoroethane is CC.CC(F)(F)F.CC1(C)C(/C=C2\C(=O)C(=O)c3c(F)cc(F)cc32)=Cc2cc3sc4cc5c(cc4c3cc21)C(C)(C)C(/C=C1\C(=O)C(=O)c2c(F)cc(F)cc21)=C5.CC1(C)C(/N=C2\C(=O)c3ccccc3C2=C(C#N)C#N)=Cc2cc3sc4cc5c(cc4c3cc21)C(C)(C)C(/N=C1\C(=O)c2ccccc2C1=C(C#N)C#N)=C5.CC1=C(C#N)C(=O)N(C)C(=O)/C1=N\C1=Cc2cc3sc4cc5c(cc4c3cc2C1(C)C)C(C)(C)C(/N=C1/C(=O)N(C)C(=O)C(C#N)=C1C)=C5.CCCOc1cc(N=C(C#N)C#N)sc1C1=Cc2cc3sc4cc5c(cc4c3cc2C1(C)C)C(C)(C)C(c1sc(N=C(C#N)C#N)cc1OCCC)=C5.CCN1C(=O)/C(=N/C2=Cc3cc4sc5cc6c(cc5c4cc3C2(C)C)C(C)(C)C(/N=C2\SC(=C(C#N)C#N)N(CC)C2=O)=C6)SC1=C(C#N)C#N.CCN1C(=O)/C(=N/C2=Cc3cc4sc5cc6c(cc5c4cc3C2(C)C)C(C)(C)C(/N=C2\SC(=S)N(CC)C2=O)=C6)SC1=S.COc1cc(N=C(C#N)C#N)sc1C1=Cc2cc3sc4cc5c(cc4c3cc2C1(C)C)C(C)(C)C(c1sc(N=C(C#N)C#N)cc1OC)=C5.
What is the InChIKey of 5-[[16-[(5-cyano-1,4-dimethyl-2,6-dioxo-3-pyridinylidene)amino]-5,5,17,17-tetramethyl-11-thiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,6,8,13,15,18-octaen-6-yl]imino]-1,4-dimethyl-2,6-dioxopyridine-3-carbonitrile;2-[5-[16-[5-(dicyanomethylideneamino)-3-methoxythiophen-2-yl]-5,5,17,17-tetramethyl-11-thiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,6,8,13,15,18-octaen-6-yl]-4-methoxythiophen-2-yl]iminopropanedinitrile;2-[5-[16-[5-(dicyanomethylideneamino)-3-propoxythiophen-2-yl]-5,5,17,17-tetramethyl-11-thiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,6,8,13,15,18-octaen-6-yl]-4-propoxythiophen-2-yl]iminopropanedinitrile;2-[5-[[16-[[2-(dicyanomethylidene)-3-ethyl-4-oxo-1,3-thiazolidin-5-ylidene]amino]-5,5,17,17-tetramethyl-11-thiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,6,8,13,15,18-octaen-6-yl]imino]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile;2-[2-[[16-[[1-(dicyanomethylidene)-3-oxoinden-2-ylidene]amino]-5,5,17,17-tetramethyl-11-thiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,6,8,13,15,18-octaen-6-yl]imino]-3-oxoinden-1-ylidene]propanedinitrile;(3Z)-3-[[16-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]-5,5,17,17-tetramethyl-11-thiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,6,8,13,15,18-octaen-6-yl]methylidene]-5,7-difluoroindene-1,2-dione;ethane;3-ethyl-5-[[16-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)amino]-5,5,17,17-tetramethyl-11-thiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,6,8,13,15,18-octaen-6-yl]imino]-2-sulfanylidene-1,3-thiazolidin-4-one;1,1,1-trifluoroethane?
The InChIKey is ANJGTWVIVNQJHX-ILPXFSLBSA-N. The full InChI is InChI=1S/C46H26N6O2S.C42H24F4O4S.C42H34N6O2S3.C38H28N8O2S3.C38H30N6O4S.C38H26N6O2S3.C32H28N4O2S5.C2H3F3.C2H6/c1-45(2)33-17-31-32-18-34-24(16-38(46(34,3)4)52-42-40(26(21-49)22-50)28-10-6-8-12-30(28)44(42)54)14-36(32)55-35(31)13-23(33)15-37(45)51-41-39(25(19-47)20-48)27-9-5-7-11-29(27)43(41)53;1-41(2)19(9-27-25-11-21(43)13-31(45)35(25)39(49)37(27)47)5-17-7-33-23(15-29(17)41)24-16-30-18(8-34(24)51-33)6-20(42(30,3)4)10-28-26-12-22(44)14-32(46)36(26)40(50)38(28)48;1-7-9-49-33-17-37(47-25(19-43)20-44)52-39(33)31-11-23-13-35-27(15-29(23)41(31,3)4)28-16-30-24(14-36(28)51-35)12-32(42(30,5)6)40-34(50-10-8-2)18-38(53-40)48-26(21-45)22-46;1-7-45-33(47)31(50-35(45)21(15-39)16-40)43-29-11-19-9-27-23(13-25(19)37(29,3)4)24-14-26-20(10-28(24)49-27)12-30(38(26,5)6)44-32-34(48)46(8-2)36(51-32)22(17-41)18-42;1-17-23(15-39)33(45)43(7)35(47)31(17)41-29-11-19-9-27-21(13-25(19)37(29,3)4)22-14-26-20(10-28(22)49-27)12-30(38(26,5)6)42-32-18(2)24(16-40)34(46)44(8)36(32)48;1-37(2)25-11-23-24-12-26-20(8-28(38(26,3)4)36-30(46-6)14-34(49-36)44-22(17-41)18-42)10-32(24)47-31(23)9-19(25)7-27(37)35-29(45-5)13-33(48-35)43-21(15-39)16-40;1-7-35-27(37)25(42-29(35)39)33-23-11-15-9-21-17(13-19(15)31(23,3)4)18-14-20-16(10-22(18)41-21)12-24(32(20,5)6)34-26-28(38)36(8-2)30(40)43-26;1-2(3,4)5;1-2/h5-18H,1-4H3;5-16H,1-4H3;11-18H,7-10H2,1-6H3;9-14H,7-8H2,1-6H3;9-14H,1-8H3;7-14H,1-6H3;9-14H,7-8H2,1-6H3;1H3;1-2H3/b51-41-,52-42-;27-9-,28-10-;;43-31-,44-32-;41-31-,42-32+;;33-25-,34-26-;;.
What are the key properties of 5-[[16-[(5-cyano-1,4-dimethyl-2,6-dioxo-3-pyridinylidene)amino]-5,5,17,17-tetramethyl-11-thiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,6,8,13,15,18-octaen-6-yl]imino]-1,4-dimethyl-2,6-dioxopyridine-3-carbonitrile;2-[5-[16-[5-(dicyanomethylideneamino)-3-methoxythiophen-2-yl]-5,5,17,17-tetramethyl-11-thiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,6,8,13,15,18-octaen-6-yl]-4-methoxythiophen-2-yl]iminopropanedinitrile;2-[5-[16-[5-(dicyanomethylideneamino)-3-propoxythiophen-2-yl]-5,5,17,17-tetramethyl-11-thiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,6,8,13,15,18-octaen-6-yl]-4-propoxythiophen-2-yl]iminopropanedinitrile;2-[5-[[16-[[2-(dicyanomethylidene)-3-ethyl-4-oxo-1,3-thiazolidin-5-ylidene]amino]-5,5,17,17-tetramethyl-11-thiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,6,8,13,15,18-octaen-6-yl]imino]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile;2-[2-[[16-[[1-(dicyanomethylidene)-3-oxoinden-2-ylidene]amino]-5,5,17,17-tetramethyl-11-thiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,6,8,13,15,18-octaen-6-yl]imino]-3-oxoinden-1-ylidene]propanedinitrile;(3Z)-3-[[16-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]-5,5,17,17-tetramethyl-11-thiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,6,8,13,15,18-octaen-6-yl]methylidene]-5,7-difluoroindene-1,2-dione;ethane;3-ethyl-5-[[16-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)amino]-5,5,17,17-tetramethyl-11-thiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,6,8,13,15,18-octaen-6-yl]imino]-2-sulfanylidene-1,3-thiazolidin-4-one;1,1,1-trifluoroethane?
5-[[16-[(5-cyano-1,4-dimethyl-2,6-dioxo-3-pyridinylidene)amino]-5,5,17,17-tetramethyl-11-thiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,6,8,13,15,18-octaen-6-yl]imino]-1,4-dimethyl-2,6-dioxopyridine-3-carbonitrile;2-[5-[16-[5-(dicyanomethylideneamino)-3-methoxythiophen-2-yl]-5,5,17,17-tetramethyl-11-thiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,6,8,13,15,18-octaen-6-yl]-4-methoxythiophen-2-yl]iminopropanedinitrile;2-[5-[16-[5-(dicyanomethylideneamino)-3-propoxythiophen-2-yl]-5,5,17,17-tetramethyl-11-thiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,6,8,13,15,18-octaen-6-yl]-4-propoxythiophen-2-yl]iminopropanedinitrile;2-[5-[[16-[[2-(dicyanomethylidene)-3-ethyl-4-oxo-1,3-thiazolidin-5-ylidene]amino]-5,5,17,17-tetramethyl-11-thiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,6,8,13,15,18-octaen-6-yl]imino]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile;2-[2-[[16-[[1-(dicyanomethylidene)-3-oxoinden-2-ylidene]amino]-5,5,17,17-tetramethyl-11-thiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,6,8,13,15,18-octaen-6-yl]imino]-3-oxoinden-1-ylidene]propanedinitrile;(3Z)-3-[[16-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]-5,5,17,17-tetramethyl-11-thiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,6,8,13,15,18-octaen-6-yl]methylidene]-5,7-difluoroindene-1,2-dione;ethane;3-ethyl-5-[[16-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)amino]-5,5,17,17-tetramethyl-11-thiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,6,8,13,15,18-octaen-6-yl]imino]-2-sulfanylidene-1,3-thiazolidin-4-one;1,1,1-trifluoroethane has a molecular weight of 5040.08 g/mol, XLogP of 65.18, 30 rotatable bonds, 0 hydrogen bond donors, and 65 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[16-[(5-cyano-1,4-dimethyl-2,6-dioxo-3-pyridinylidene)amino]-5,5,17,17-tetramethyl-11-thiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,6,8,13,15,18-octaen-6-yl]imino]-1,4-dimethyl-2,6-dioxopyridine-3-carbonitrile;2-[5-[16-[5-(dicyanomethylideneamino)-3-methoxythiophen-2-yl]-5,5,17,17-tetramethyl-11-thiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,6,8,13,15,18-octaen-6-yl]-4-methoxythiophen-2-yl]iminopropanedinitrile;2-[5-[16-[5-(dicyanomethylideneamino)-3-propoxythiophen-2-yl]-5,5,17,17-tetramethyl-11-thiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,6,8,13,15,18-octaen-6-yl]-4-propoxythiophen-2-yl]iminopropanedinitrile;2-[5-[[16-[[2-(dicyanomethylidene)-3-ethyl-4-oxo-1,3-thiazolidin-5-ylidene]amino]-5,5,17,17-tetramethyl-11-thiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,6,8,13,15,18-octaen-6-yl]imino]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile;2-[2-[[16-[[1-(dicyanomethylidene)-3-oxoinden-2-ylidene]amino]-5,5,17,17-tetramethyl-11-thiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,6,8,13,15,18-octaen-6-yl]imino]-3-oxoinden-1-ylidene]propanedinitrile;(3Z)-3-[[16-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]-5,5,17,17-tetramethyl-11-thiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,6,8,13,15,18-octaen-6-yl]methylidene]-5,7-difluoroindene-1,2-dione;ethane;3-ethyl-5-[[16-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)amino]-5,5,17,17-tetramethyl-11-thiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,6,8,13,15,18-octaen-6-yl]imino]-2-sulfanylidene-1,3-thiazolidin-4-one;1,1,1-trifluoroethane is sourced from PubChem (CID 164951007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).