About 2-[[10-[[1,3-bis(sulfanylidene)inden-2-ylidene]methyl]-7-methyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]indene-1,3-dithione;2-[[10-[(5,6-dicyano-1,3-dioxoinden-2-ylidene)methyl]-7-methyl-3,11-dithia-5,7,9-triazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]-1,3-dioxoindene-5,6-dicarbonitrile;2-[[10-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]-7-methyl-3,11-dithia-5,7,9-triazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]-5,6-difluoroindene-1,3-dione;(3Z)-3-[[10-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]-7-methyl-3,11-dithia-5,7,9-triazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]-5,7-difluoroindene-1,2-dione;2-[5-[10-[5-(diisocyanomethylideneamino)-3-methoxythiophen-2-yl]-7-methyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-4-methoxythiophen-2-yl]iminopropanedinitrile;2-[[10-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]-7-methyl-3,11-dithia-5,7,9-triazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[[10-[(1,3-dioxoinden-2-ylidene)methyl]-7-methyl-3,11-dithia-5,7,9-triazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]indene-1,3-dione;(3Z)-3-[[10-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]-7-methyl-3,11-dithia-5,7,9-triazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]indene-1,2-dione;(3Z)-3-[[10-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-7-methyl-3,11-dithia-5,7,9-triazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]-6-methylindene-1,2-dione
2-[[10-[[1,3-bis(sulfanylidene)inden-2-ylidene]methyl]-7-methyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]indene-1,3-dithione;2-[[10-[(5,6-dicyano-1,3-dioxoinden-2-ylidene)methyl]-7-methyl-3,11-dithia-5,7,9-triazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]-1,3-dioxoindene-5,6-dicarbonitrile;2-[[10-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]-7-methyl-3,11-dithia-5,7,9-triazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]-5,6-difluoroindene-1,3-dione;(3Z)-3-[[10-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]-7-methyl-3,11-dithia-5,7,9-triazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]-5,7-difluoroindene-1,2-dione;2-[5-[10-[5-(diisocyanomethylideneamino)-3-methoxythiophen-2-yl]-7-methyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-4-methoxythiophen-2-yl]iminopropanedinitrile;2-[[10-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]-7-methyl-3,11-dithia-5,7,9-triazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[[10-[(1,3-dioxoinden-2-ylidene)methyl]-7-methyl-3,11-dithia-5,7,9-triazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]indene-1,3-dione;(3Z)-3-[[10-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]-7-methyl-3,11-dithia-5,7,9-triazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]indene-1,2-dione;(3Z)-3-[[10-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-7-methyl-3,11-dithia-5,7,9-triazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]-6-methylindene-1,2-dione (PubChem CID 164983882) has the molecular formula C247H118F11N35O30S24
and a molecular weight of 5034.46 g/mol. Its IUPAC name is 2-[[10-[[1,3-bis(sulfanylidene)inden-2-ylidene]methyl]-7-methyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]indene-1,3-dithione;2-[[10-[(5,6-dicyano-1,3-dioxoinden-2-ylidene)methyl]-7-methyl-3,11-dithia-5,7,9-triazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]-1,3-dioxoindene-5,6-dicarbonitrile;2-[[10-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]-7-methyl-3,11-dithia-5,7,9-triazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]-5,6-difluoroindene-1,3-dione;(3Z)-3-[[10-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]-7-methyl-3,11-dithia-5,7,9-triazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]-5,7-difluoroindene-1,2-dione;2-[5-[10-[5-(diisocyanomethylideneamino)-3-methoxythiophen-2-yl]-7-methyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-4-methoxythiophen-2-yl]iminopropanedinitrile;2-[[10-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]-7-methyl-3,11-dithia-5,7,9-triazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[[10-[(1,3-dioxoinden-2-ylidene)methyl]-7-methyl-3,11-dithia-5,7,9-triazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]indene-1,3-dione;(3Z)-3-[[10-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]-7-methyl-3,11-dithia-5,7,9-triazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]indene-1,2-dione;(3Z)-3-[[10-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-7-methyl-3,11-dithia-5,7,9-triazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]-6-methylindene-1,2-dione.
Frequently Asked Questions
What is the IUPAC name of 2-[[10-[[1,3-bis(sulfanylidene)inden-2-ylidene]methyl]-7-methyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]indene-1,3-dithione;2-[[10-[(5,6-dicyano-1,3-dioxoinden-2-ylidene)methyl]-7-methyl-3,11-dithia-5,7,9-triazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]-1,3-dioxoindene-5,6-dicarbonitrile;2-[[10-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]-7-methyl-3,11-dithia-5,7,9-triazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]-5,6-difluoroindene-1,3-dione;(3Z)-3-[[10-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]-7-methyl-3,11-dithia-5,7,9-triazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]-5,7-difluoroindene-1,2-dione;2-[5-[10-[5-(diisocyanomethylideneamino)-3-methoxythiophen-2-yl]-7-methyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-4-methoxythiophen-2-yl]iminopropanedinitrile;2-[[10-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]-7-methyl-3,11-dithia-5,7,9-triazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[[10-[(1,3-dioxoinden-2-ylidene)methyl]-7-methyl-3,11-dithia-5,7,9-triazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]indene-1,3-dione;(3Z)-3-[[10-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]-7-methyl-3,11-dithia-5,7,9-triazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]indene-1,2-dione;(3Z)-3-[[10-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-7-methyl-3,11-dithia-5,7,9-triazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]-6-methylindene-1,2-dione?
The IUPAC name of 2-[[10-[[1,3-bis(sulfanylidene)inden-2-ylidene]methyl]-7-methyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]indene-1,3-dithione;2-[[10-[(5,6-dicyano-1,3-dioxoinden-2-ylidene)methyl]-7-methyl-3,11-dithia-5,7,9-triazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]-1,3-dioxoindene-5,6-dicarbonitrile;2-[[10-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]-7-methyl-3,11-dithia-5,7,9-triazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]-5,6-difluoroindene-1,3-dione;(3Z)-3-[[10-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]-7-methyl-3,11-dithia-5,7,9-triazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]-5,7-difluoroindene-1,2-dione;2-[5-[10-[5-(diisocyanomethylideneamino)-3-methoxythiophen-2-yl]-7-methyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-4-methoxythiophen-2-yl]iminopropanedinitrile;2-[[10-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]-7-methyl-3,11-dithia-5,7,9-triazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[[10-[(1,3-dioxoinden-2-ylidene)methyl]-7-methyl-3,11-dithia-5,7,9-triazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]indene-1,3-dione;(3Z)-3-[[10-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]-7-methyl-3,11-dithia-5,7,9-triazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]indene-1,2-dione;(3Z)-3-[[10-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-7-methyl-3,11-dithia-5,7,9-triazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]-6-methylindene-1,2-dione (CID 164983882) is 2-[[10-[[1,3-bis(sulfanylidene)inden-2-ylidene]methyl]-7-methyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]indene-1,3-dithione;2-[[10-[(5,6-dicyano-1,3-dioxoinden-2-ylidene)methyl]-7-methyl-3,11-dithia-5,7,9-triazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]-1,3-dioxoindene-5,6-dicarbonitrile;2-[[10-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]-7-methyl-3,11-dithia-5,7,9-triazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]-5,6-difluoroindene-1,3-dione;(3Z)-3-[[10-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]-7-methyl-3,11-dithia-5,7,9-triazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]-5,7-difluoroindene-1,2-dione;2-[5-[10-[5-(diisocyanomethylideneamino)-3-methoxythiophen-2-yl]-7-methyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-4-methoxythiophen-2-yl]iminopropanedinitrile;2-[[10-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]-7-methyl-3,11-dithia-5,7,9-triazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[[10-[(1,3-dioxoinden-2-ylidene)methyl]-7-methyl-3,11-dithia-5,7,9-triazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]indene-1,3-dione;(3Z)-3-[[10-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]-7-methyl-3,11-dithia-5,7,9-triazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]indene-1,2-dione;(3Z)-3-[[10-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-7-methyl-3,11-dithia-5,7,9-triazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]-6-methylindene-1,2-dione.
What is the SMILES notation for 2-[[10-[[1,3-bis(sulfanylidene)inden-2-ylidene]methyl]-7-methyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]indene-1,3-dithione;2-[[10-[(5,6-dicyano-1,3-dioxoinden-2-ylidene)methyl]-7-methyl-3,11-dithia-5,7,9-triazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]-1,3-dioxoindene-5,6-dicarbonitrile;2-[[10-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]-7-methyl-3,11-dithia-5,7,9-triazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]-5,6-difluoroindene-1,3-dione;(3Z)-3-[[10-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]-7-methyl-3,11-dithia-5,7,9-triazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]-5,7-difluoroindene-1,2-dione;2-[5-[10-[5-(diisocyanomethylideneamino)-3-methoxythiophen-2-yl]-7-methyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-4-methoxythiophen-2-yl]iminopropanedinitrile;2-[[10-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]-7-methyl-3,11-dithia-5,7,9-triazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[[10-[(1,3-dioxoinden-2-ylidene)methyl]-7-methyl-3,11-dithia-5,7,9-triazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]indene-1,3-dione;(3Z)-3-[[10-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]-7-methyl-3,11-dithia-5,7,9-triazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]indene-1,2-dione;(3Z)-3-[[10-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-7-methyl-3,11-dithia-5,7,9-triazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]-6-methylindene-1,2-dione?
The canonical SMILES for 2-[[10-[[1,3-bis(sulfanylidene)inden-2-ylidene]methyl]-7-methyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]indene-1,3-dithione;2-[[10-[(5,6-dicyano-1,3-dioxoinden-2-ylidene)methyl]-7-methyl-3,11-dithia-5,7,9-triazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]-1,3-dioxoindene-5,6-dicarbonitrile;2-[[10-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]-7-methyl-3,11-dithia-5,7,9-triazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]-5,6-difluoroindene-1,3-dione;(3Z)-3-[[10-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]-7-methyl-3,11-dithia-5,7,9-triazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]-5,7-difluoroindene-1,2-dione;2-[5-[10-[5-(diisocyanomethylideneamino)-3-methoxythiophen-2-yl]-7-methyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-4-methoxythiophen-2-yl]iminopropanedinitrile;2-[[10-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]-7-methyl-3,11-dithia-5,7,9-triazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[[10-[(1,3-dioxoinden-2-ylidene)methyl]-7-methyl-3,11-dithia-5,7,9-triazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]indene-1,3-dione;(3Z)-3-[[10-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]-7-methyl-3,11-dithia-5,7,9-triazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]indene-1,2-dione;(3Z)-3-[[10-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-7-methyl-3,11-dithia-5,7,9-triazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]-6-methylindene-1,2-dione is Cc1ccc2c(c1)C(=O)C(=O)/C2=C\c1nc2c(s1)c1sc(/C=C3\C(=O)C(=O)c4cc(C(F)(F)F)ccc43)nc1n2C.Cn1c2cc(C=C3C(=S)c4ccccc4C3=S)sc2c2sc(C=C3C(=S)c4ccccc4C3=S)cc21.Cn1c2nc(/C=C3\C(=O)C(=O)c4c(F)cc(F)cc43)sc2c2sc(/C=C3\C(=O)C(=O)c4c(F)cc(F)cc43)nc21.Cn1c2nc(/C=C3\C(=O)C(=O)c4ccccc43)sc2c2sc(/C=C3\C(=O)C(=O)c4ccccc43)nc21.Cn1c2nc(C=C3C(=O)c4cc(C#N)c(C#N)cc4C3=O)sc2c2sc(C=C3C(=O)c4cc(C#N)c(C#N)cc4C3=O)nc21.Cn1c2nc(C=C3C(=O)c4cc(F)c(F)cc4C3=O)sc2c2sc(C=C3C(=O)c4cc(F)c(F)cc4C3=O)nc21.Cn1c2nc(C=C3C(=O)c4ccccc4C3=O)sc2c2sc(C=C3C(=O)c4ccccc4C3=O)nc21.Cn1c2nc(N=C3C(=O)C4CCCCC4C3=O)sc2c2sc(N=C3C(=O)C4CCCCC4C3=O)nc21.[C-]#[N+]C(=Nc1cc(OC)c(-c2cc3c(s2)c2sc(-c4sc(N=C(C#N)C#N)cc4OC)cc2n3C)s1)[N+]#[C-].
What is the InChIKey of 2-[[10-[[1,3-bis(sulfanylidene)inden-2-ylidene]methyl]-7-methyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]indene-1,3-dithione;2-[[10-[(5,6-dicyano-1,3-dioxoinden-2-ylidene)methyl]-7-methyl-3,11-dithia-5,7,9-triazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]-1,3-dioxoindene-5,6-dicarbonitrile;2-[[10-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]-7-methyl-3,11-dithia-5,7,9-triazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]-5,6-difluoroindene-1,3-dione;(3Z)-3-[[10-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]-7-methyl-3,11-dithia-5,7,9-triazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]-5,7-difluoroindene-1,2-dione;2-[5-[10-[5-(diisocyanomethylideneamino)-3-methoxythiophen-2-yl]-7-methyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-4-methoxythiophen-2-yl]iminopropanedinitrile;2-[[10-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]-7-methyl-3,11-dithia-5,7,9-triazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[[10-[(1,3-dioxoinden-2-ylidene)methyl]-7-methyl-3,11-dithia-5,7,9-triazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]indene-1,3-dione;(3Z)-3-[[10-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]-7-methyl-3,11-dithia-5,7,9-triazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]indene-1,2-dione;(3Z)-3-[[10-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-7-methyl-3,11-dithia-5,7,9-triazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]-6-methylindene-1,2-dione?
The InChIKey is GZGBGVYRENNPJG-NVKGTBINSA-N. The full InChI is InChI=1S/C31H9N7O4S2.C29H14F3N3O4S2.C29H15NS6.2C27H9F4N3O4S2.2C27H13N3O4S2.C25H13N7O2S4.C25H23N5O4S2/c1-38-30-28(43-22(36-30)6-20-24(39)16-2-12(8-32)13(9-33)3-17(16)25(20)40)29-31(38)37-23(44-29)7-21-26(41)18-4-14(10-34)15(11-35)5-19(18)27(21)42;1-11-3-5-13-15(7-11)21(36)23(38)17(13)9-19-33-27-25(40-19)26-28(35(27)2)34-20(41-26)10-18-14-6-4-12(29(30,31)32)8-16(14)22(37)24(18)39;1-30-22-12-14(10-20-24(31)16-6-2-3-7-17(16)25(20)32)35-28(22)29-23(30)13-15(36-29)11-21-26(33)18-8-4-5-9-19(18)27(21)34;1-34-26-24(39-18(32-26)6-12-20(35)8-2-14(28)15(29)3-9(8)21(12)36)25-27(34)33-19(40-25)7-13-22(37)10-4-16(30)17(31)5-11(10)23(13)38;1-34-26-24(39-16(32-26)6-12-10-2-8(28)4-14(30)18(10)22(37)20(12)35)25-27(34)33-17(40-25)7-13-11-3-9(29)5-15(31)19(11)23(38)21(13)36;1-30-26-24(35-18(28-26)10-16-12-6-2-4-8-14(12)20(31)22(16)33)25-27(30)29-19(36-25)11-17-13-7-3-5-9-15(13)21(32)23(17)34;1-30-26-24(35-18(28-26)10-16-20(31)12-6-2-3-7-13(12)21(16)32)25-27(30)29-19(36-25)11-17-22(33)14-8-4-5-9-15(14)23(17)34;1-28-25(29-2)31-20-9-16(34-5)24(38-20)18-7-14-22(36-18)21-13(32(14)3)6-17(35-21)23-15(33-4)8-19(37-23)30-12(10-26)11-27;1-30-22-20(35-24(28-22)26-14-16(31)10-6-2-3-7-11(10)17(14)32)21-23(30)29-25(36-21)27-15-18(33)12-8-4-5-9-13(12)19(15)34/h2-7H,1H3;3-10H,1-2H3;2-13H,1H3;2*2-7H,1H3;2*2-11H,1H3;6-9H,3-5H3;10-13H,2-9H2,1H3/b;17-9-,18-10-;;;12-6-,13-7-;16-10-,17-11-;;;.
What are the key properties of 2-[[10-[[1,3-bis(sulfanylidene)inden-2-ylidene]methyl]-7-methyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]indene-1,3-dithione;2-[[10-[(5,6-dicyano-1,3-dioxoinden-2-ylidene)methyl]-7-methyl-3,11-dithia-5,7,9-triazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]-1,3-dioxoindene-5,6-dicarbonitrile;2-[[10-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]-7-methyl-3,11-dithia-5,7,9-triazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]-5,6-difluoroindene-1,3-dione;(3Z)-3-[[10-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]-7-methyl-3,11-dithia-5,7,9-triazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]-5,7-difluoroindene-1,2-dione;2-[5-[10-[5-(diisocyanomethylideneamino)-3-methoxythiophen-2-yl]-7-methyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-4-methoxythiophen-2-yl]iminopropanedinitrile;2-[[10-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]-7-methyl-3,11-dithia-5,7,9-triazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[[10-[(1,3-dioxoinden-2-ylidene)methyl]-7-methyl-3,11-dithia-5,7,9-triazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]indene-1,3-dione;(3Z)-3-[[10-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]-7-methyl-3,11-dithia-5,7,9-triazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]indene-1,2-dione;(3Z)-3-[[10-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-7-methyl-3,11-dithia-5,7,9-triazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]-6-methylindene-1,2-dione?
2-[[10-[[1,3-bis(sulfanylidene)inden-2-ylidene]methyl]-7-methyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]indene-1,3-dithione;2-[[10-[(5,6-dicyano-1,3-dioxoinden-2-ylidene)methyl]-7-methyl-3,11-dithia-5,7,9-triazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]-1,3-dioxoindene-5,6-dicarbonitrile;2-[[10-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]-7-methyl-3,11-dithia-5,7,9-triazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]-5,6-difluoroindene-1,3-dione;(3Z)-3-[[10-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]-7-methyl-3,11-dithia-5,7,9-triazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]-5,7-difluoroindene-1,2-dione;2-[5-[10-[5-(diisocyanomethylideneamino)-3-methoxythiophen-2-yl]-7-methyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-4-methoxythiophen-2-yl]iminopropanedinitrile;2-[[10-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]-7-methyl-3,11-dithia-5,7,9-triazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[[10-[(1,3-dioxoinden-2-ylidene)methyl]-7-methyl-3,11-dithia-5,7,9-triazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]indene-1,3-dione;(3Z)-3-[[10-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]-7-methyl-3,11-dithia-5,7,9-triazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]indene-1,2-dione;(3Z)-3-[[10-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-7-methyl-3,11-dithia-5,7,9-triazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]-6-methylindene-1,2-dione has a molecular weight of 5034.46 g/mol, XLogP of 52.71, 22 rotatable bonds, 0 hydrogen bond donors, and 87 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[10-[[1,3-bis(sulfanylidene)inden-2-ylidene]methyl]-7-methyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]indene-1,3-dithione;2-[[10-[(5,6-dicyano-1,3-dioxoinden-2-ylidene)methyl]-7-methyl-3,11-dithia-5,7,9-triazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]-1,3-dioxoindene-5,6-dicarbonitrile;2-[[10-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]-7-methyl-3,11-dithia-5,7,9-triazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]-5,6-difluoroindene-1,3-dione;(3Z)-3-[[10-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]-7-methyl-3,11-dithia-5,7,9-triazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]-5,7-difluoroindene-1,2-dione;2-[5-[10-[5-(diisocyanomethylideneamino)-3-methoxythiophen-2-yl]-7-methyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-4-methoxythiophen-2-yl]iminopropanedinitrile;2-[[10-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]-7-methyl-3,11-dithia-5,7,9-triazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[[10-[(1,3-dioxoinden-2-ylidene)methyl]-7-methyl-3,11-dithia-5,7,9-triazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]indene-1,3-dione;(3Z)-3-[[10-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]-7-methyl-3,11-dithia-5,7,9-triazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]indene-1,2-dione;(3Z)-3-[[10-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-7-methyl-3,11-dithia-5,7,9-triazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]-6-methylindene-1,2-dione is sourced from PubChem (CID 164983882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).