About 2-[[6-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-15-yl]methylidene]-5,6-difluoroindene-1,3-dione;2-[[5-[15-[5-(2,2-diisocyanoethenyl)thiophen-2-yl]spiro[10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaene-11,1'-cyclohexane]-6-yl]thiophen-2-yl]methylidene]propanedinitrile;2-[[6-[(1,3-dioxo-3a,4,4a,5,5a,6,7,8,9,9a,10,10a,11,11a-tetradecahydrocyclopenta[b]anthracen-2-ylidene)amino]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-15-yl]imino]-3a,4,4a,5,5a,6,7,8,9,9a,10,10a,11,11a-tetradecahydrocyclopenta[b]anthracene-1,3-dione;2-[6-[(1,3-dioxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalen-2-ylidene)amino]spiro[10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaene-11,1'-cyclohexane]-15-yl]imino-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[6-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-15-yl]methylidene]indene-1,2-dione;(3Z)-3-[[6-[(Z)-[2,3-dioxo-6-(trifluoromethyl)inden-1-ylidene]methyl]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-15-yl]methylidene]-5-methylindene-1,2-dione
2-[[6-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-15-yl]methylidene]-5,6-difluoroindene-1,3-dione;2-[[5-[15-[5-(2,2-diisocyanoethenyl)thiophen-2-yl]spiro[10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaene-11,1'-cyclohexane]-6-yl]thiophen-2-yl]methylidene]propanedinitrile;2-[[6-[(1,3-dioxo-3a,4,4a,5,5a,6,7,8,9,9a,10,10a,11,11a-tetradecahydrocyclopenta[b]anthracen-2-ylidene)amino]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-15-yl]imino]-3a,4,4a,5,5a,6,7,8,9,9a,10,10a,11,11a-tetradecahydrocyclopenta[b]anthracene-1,3-dione;2-[6-[(1,3-dioxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalen-2-ylidene)amino]spiro[10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaene-11,1'-cyclohexane]-15-yl]imino-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[6-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-15-yl]methylidene]indene-1,2-dione;(3Z)-3-[[6-[(Z)-[2,3-dioxo-6-(trifluoromethyl)inden-1-ylidene]methyl]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-15-yl]methylidene]-5-methylindene-1,2-dione (PubChem CID 165020212) has the molecular formula C222H153F7N20O26S26
and a molecular weight of 4483.51 g/mol. Its IUPAC name is 2-[[6-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-15-yl]methylidene]-5,6-difluoroindene-1,3-dione;2-[[5-[15-[5-(2,2-diisocyanoethenyl)thiophen-2-yl]spiro[10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaene-11,1'-cyclohexane]-6-yl]thiophen-2-yl]methylidene]propanedinitrile;2-[[6-[(1,3-dioxo-3a,4,4a,5,5a,6,7,8,9,9a,10,10a,11,11a-tetradecahydrocyclopenta[b]anthracen-2-ylidene)amino]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-15-yl]imino]-3a,4,4a,5,5a,6,7,8,9,9a,10,10a,11,11a-tetradecahydrocyclopenta[b]anthracene-1,3-dione;2-[6-[(1,3-dioxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalen-2-ylidene)amino]spiro[10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaene-11,1'-cyclohexane]-15-yl]imino-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[6-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-15-yl]methylidene]indene-1,2-dione;(3Z)-3-[[6-[(Z)-[2,3-dioxo-6-(trifluoromethyl)inden-1-ylidene]methyl]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-15-yl]methylidene]-5-methylindene-1,2-dione.
Frequently Asked Questions
What is the IUPAC name of 2-[[6-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-15-yl]methylidene]-5,6-difluoroindene-1,3-dione;2-[[5-[15-[5-(2,2-diisocyanoethenyl)thiophen-2-yl]spiro[10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaene-11,1'-cyclohexane]-6-yl]thiophen-2-yl]methylidene]propanedinitrile;2-[[6-[(1,3-dioxo-3a,4,4a,5,5a,6,7,8,9,9a,10,10a,11,11a-tetradecahydrocyclopenta[b]anthracen-2-ylidene)amino]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-15-yl]imino]-3a,4,4a,5,5a,6,7,8,9,9a,10,10a,11,11a-tetradecahydrocyclopenta[b]anthracene-1,3-dione;2-[6-[(1,3-dioxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalen-2-ylidene)amino]spiro[10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaene-11,1'-cyclohexane]-15-yl]imino-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[6-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-15-yl]methylidene]indene-1,2-dione;(3Z)-3-[[6-[(Z)-[2,3-dioxo-6-(trifluoromethyl)inden-1-ylidene]methyl]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-15-yl]methylidene]-5-methylindene-1,2-dione?
The IUPAC name of 2-[[6-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-15-yl]methylidene]-5,6-difluoroindene-1,3-dione;2-[[5-[15-[5-(2,2-diisocyanoethenyl)thiophen-2-yl]spiro[10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaene-11,1'-cyclohexane]-6-yl]thiophen-2-yl]methylidene]propanedinitrile;2-[[6-[(1,3-dioxo-3a,4,4a,5,5a,6,7,8,9,9a,10,10a,11,11a-tetradecahydrocyclopenta[b]anthracen-2-ylidene)amino]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-15-yl]imino]-3a,4,4a,5,5a,6,7,8,9,9a,10,10a,11,11a-tetradecahydrocyclopenta[b]anthracene-1,3-dione;2-[6-[(1,3-dioxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalen-2-ylidene)amino]spiro[10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaene-11,1'-cyclohexane]-15-yl]imino-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[6-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-15-yl]methylidene]indene-1,2-dione;(3Z)-3-[[6-[(Z)-[2,3-dioxo-6-(trifluoromethyl)inden-1-ylidene]methyl]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-15-yl]methylidene]-5-methylindene-1,2-dione (CID 165020212) is 2-[[6-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-15-yl]methylidene]-5,6-difluoroindene-1,3-dione;2-[[5-[15-[5-(2,2-diisocyanoethenyl)thiophen-2-yl]spiro[10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaene-11,1'-cyclohexane]-6-yl]thiophen-2-yl]methylidene]propanedinitrile;2-[[6-[(1,3-dioxo-3a,4,4a,5,5a,6,7,8,9,9a,10,10a,11,11a-tetradecahydrocyclopenta[b]anthracen-2-ylidene)amino]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-15-yl]imino]-3a,4,4a,5,5a,6,7,8,9,9a,10,10a,11,11a-tetradecahydrocyclopenta[b]anthracene-1,3-dione;2-[6-[(1,3-dioxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalen-2-ylidene)amino]spiro[10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaene-11,1'-cyclohexane]-15-yl]imino-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[6-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-15-yl]methylidene]indene-1,2-dione;(3Z)-3-[[6-[(Z)-[2,3-dioxo-6-(trifluoromethyl)inden-1-ylidene]methyl]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-15-yl]methylidene]-5-methylindene-1,2-dione.
What is the SMILES notation for 2-[[6-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-15-yl]methylidene]-5,6-difluoroindene-1,3-dione;2-[[5-[15-[5-(2,2-diisocyanoethenyl)thiophen-2-yl]spiro[10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaene-11,1'-cyclohexane]-6-yl]thiophen-2-yl]methylidene]propanedinitrile;2-[[6-[(1,3-dioxo-3a,4,4a,5,5a,6,7,8,9,9a,10,10a,11,11a-tetradecahydrocyclopenta[b]anthracen-2-ylidene)amino]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-15-yl]imino]-3a,4,4a,5,5a,6,7,8,9,9a,10,10a,11,11a-tetradecahydrocyclopenta[b]anthracene-1,3-dione;2-[6-[(1,3-dioxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalen-2-ylidene)amino]spiro[10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaene-11,1'-cyclohexane]-15-yl]imino-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[6-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-15-yl]methylidene]indene-1,2-dione;(3Z)-3-[[6-[(Z)-[2,3-dioxo-6-(trifluoromethyl)inden-1-ylidene]methyl]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-15-yl]methylidene]-5-methylindene-1,2-dione?
The canonical SMILES for 2-[[6-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-15-yl]methylidene]-5,6-difluoroindene-1,3-dione;2-[[5-[15-[5-(2,2-diisocyanoethenyl)thiophen-2-yl]spiro[10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaene-11,1'-cyclohexane]-6-yl]thiophen-2-yl]methylidene]propanedinitrile;2-[[6-[(1,3-dioxo-3a,4,4a,5,5a,6,7,8,9,9a,10,10a,11,11a-tetradecahydrocyclopenta[b]anthracen-2-ylidene)amino]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-15-yl]imino]-3a,4,4a,5,5a,6,7,8,9,9a,10,10a,11,11a-tetradecahydrocyclopenta[b]anthracene-1,3-dione;2-[6-[(1,3-dioxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalen-2-ylidene)amino]spiro[10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaene-11,1'-cyclohexane]-15-yl]imino-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[6-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-15-yl]methylidene]indene-1,2-dione;(3Z)-3-[[6-[(Z)-[2,3-dioxo-6-(trifluoromethyl)inden-1-ylidene]methyl]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-15-yl]methylidene]-5-methylindene-1,2-dione is CC1(C)Oc2c(sc3nc(/C=C4\C(=O)C(=O)c5ccccc54)sc23)-c2sc3nc(/C=C4\C(=O)C(=O)c5ccccc54)sc3c21.CC1(C)Oc2c(sc3nc(C=C4C(=O)c5cc(F)c(F)cc5C4=O)sc23)-c2sc3nc(C=C4C(=O)c5cc(F)c(F)cc5C4=O)sc3c21.CC1(C)Oc2c(sc3nc(N=C4C(=O)C5CC6CC7CCCCC7CC6CC5C4=O)sc23)-c2sc3nc(N=C4C(=O)C5CC6CC7CCCCC7CC6CC5C4=O)sc3c21.Cc1ccc2c(c1)/C(=C/c1nc3sc4c(c3s1)C(C)(C)Oc1c-4sc3nc(/C=C4\C(=O)C(=O)c5ccc(C(F)(F)F)cc54)sc13)C(=O)C2=O.O=C1C(=Nc2nc3sc4c(c3s2)OC2(CCCCC2)c2c-4sc3nc(N=C4C(=O)C5CC6CCCCC6CC5C4=O)sc23)C(=O)C2CC3CCCCC3CC12.[C-]#[N+]C(=Cc1ccc(-c2nc3sc4c(c3s2)C2(CCCCC2)Oc2c-4sc3nc(-c4ccc(C=C(C#N)C#N)s4)sc23)s1)[N+]#[C-].
What is the InChIKey of 2-[[6-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-15-yl]methylidene]-5,6-difluoroindene-1,3-dione;2-[[5-[15-[5-(2,2-diisocyanoethenyl)thiophen-2-yl]spiro[10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaene-11,1'-cyclohexane]-6-yl]thiophen-2-yl]methylidene]propanedinitrile;2-[[6-[(1,3-dioxo-3a,4,4a,5,5a,6,7,8,9,9a,10,10a,11,11a-tetradecahydrocyclopenta[b]anthracen-2-ylidene)amino]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-15-yl]imino]-3a,4,4a,5,5a,6,7,8,9,9a,10,10a,11,11a-tetradecahydrocyclopenta[b]anthracene-1,3-dione;2-[6-[(1,3-dioxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalen-2-ylidene)amino]spiro[10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaene-11,1'-cyclohexane]-15-yl]imino-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[6-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-15-yl]methylidene]indene-1,2-dione;(3Z)-3-[[6-[(Z)-[2,3-dioxo-6-(trifluoromethyl)inden-1-ylidene]methyl]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-15-yl]methylidene]-5-methylindene-1,2-dione?
The InChIKey is XVEYRQJZKMOVDL-ZVPMBKSWSA-N. The full InChI is InChI=1S/C47H50N4O5S4.C42H42N4O5S4.C35H17F3N2O5S4.C33H12F4N2O5S4.C33H16N2O5S4.C32H16N6OS6/c1-47(2)31-39(57-43-40(31)59-45(50-43)48-32-34(52)27-15-23-11-19-7-3-4-8-20(19)12-24(23)16-28(27)35(32)53)41-38(56-47)42-44(58-41)51-46(60-42)49-33-36(54)29-17-25-13-21-9-5-6-10-22(21)14-26(25)18-30(29)37(33)55;47-29-22-14-18-8-2-3-9-19(18)15-23(22)30(48)27(29)43-40-45-38-35(54-40)26-34(52-38)36-33(51-42(26)12-6-1-7-13-42)37-39(53-36)46-41(55-37)44-28-31(49)24-16-20-10-4-5-11-21(20)17-25(24)32(28)50;1-12-4-6-14-16(8-12)18(25(43)23(14)41)10-20-39-32-29(46-20)22-28(48-32)30-27(45-34(22,2)3)31-33(49-30)40-21(47-31)11-19-17-9-13(35(36,37)38)5-7-15(17)24(42)26(19)44;1-33(2)21-27(47-31-28(21)45-19(38-31)7-13-22(40)9-3-15(34)16(35)4-10(9)23(13)41)29-26(44-33)30-32(48-29)39-20(46-30)8-14-24(42)11-5-17(36)18(37)6-12(11)25(14)43;1-33(2)21-27(43-31-28(21)41-19(34-31)11-17-13-7-3-5-9-15(13)22(36)24(17)38)29-26(40-33)30-32(44-29)35-20(42-30)12-18-14-8-4-6-10-16(14)23(37)25(18)39;1-35-21(36-2)13-18-7-9-19(41-18)28-37-30-25(43-28)22-24(42-30)26-23(39-32(22)10-4-3-5-11-32)27-31(44-26)38-29(45-27)20-8-6-17(40-20)12-16(14-33)15-34/h19-30H,3-18H2,1-2H3;18-25H,1-17H2;4-11H,1-3H3;3-8H,1-2H3;3-12H,1-2H3;6-9,12-13H,3-5,10-11H2/b;;18-10-,19-11-;;17-11-,18-12-;.
What are the key properties of 2-[[6-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-15-yl]methylidene]-5,6-difluoroindene-1,3-dione;2-[[5-[15-[5-(2,2-diisocyanoethenyl)thiophen-2-yl]spiro[10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaene-11,1'-cyclohexane]-6-yl]thiophen-2-yl]methylidene]propanedinitrile;2-[[6-[(1,3-dioxo-3a,4,4a,5,5a,6,7,8,9,9a,10,10a,11,11a-tetradecahydrocyclopenta[b]anthracen-2-ylidene)amino]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-15-yl]imino]-3a,4,4a,5,5a,6,7,8,9,9a,10,10a,11,11a-tetradecahydrocyclopenta[b]anthracene-1,3-dione;2-[6-[(1,3-dioxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalen-2-ylidene)amino]spiro[10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaene-11,1'-cyclohexane]-15-yl]imino-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[6-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-15-yl]methylidene]indene-1,2-dione;(3Z)-3-[[6-[(Z)-[2,3-dioxo-6-(trifluoromethyl)inden-1-ylidene]methyl]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-15-yl]methylidene]-5-methylindene-1,2-dione?
2-[[6-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-15-yl]methylidene]-5,6-difluoroindene-1,3-dione;2-[[5-[15-[5-(2,2-diisocyanoethenyl)thiophen-2-yl]spiro[10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaene-11,1'-cyclohexane]-6-yl]thiophen-2-yl]methylidene]propanedinitrile;2-[[6-[(1,3-dioxo-3a,4,4a,5,5a,6,7,8,9,9a,10,10a,11,11a-tetradecahydrocyclopenta[b]anthracen-2-ylidene)amino]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-15-yl]imino]-3a,4,4a,5,5a,6,7,8,9,9a,10,10a,11,11a-tetradecahydrocyclopenta[b]anthracene-1,3-dione;2-[6-[(1,3-dioxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalen-2-ylidene)amino]spiro[10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaene-11,1'-cyclohexane]-15-yl]imino-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[6-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-15-yl]methylidene]indene-1,2-dione;(3Z)-3-[[6-[(Z)-[2,3-dioxo-6-(trifluoromethyl)inden-1-ylidene]methyl]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-15-yl]methylidene]-5-methylindene-1,2-dione has a molecular weight of 4483.51 g/mol, XLogP of 59.13, 14 rotatable bonds, 0 hydrogen bond donors, and 70 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-15-yl]methylidene]-5,6-difluoroindene-1,3-dione;2-[[5-[15-[5-(2,2-diisocyanoethenyl)thiophen-2-yl]spiro[10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaene-11,1'-cyclohexane]-6-yl]thiophen-2-yl]methylidene]propanedinitrile;2-[[6-[(1,3-dioxo-3a,4,4a,5,5a,6,7,8,9,9a,10,10a,11,11a-tetradecahydrocyclopenta[b]anthracen-2-ylidene)amino]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-15-yl]imino]-3a,4,4a,5,5a,6,7,8,9,9a,10,10a,11,11a-tetradecahydrocyclopenta[b]anthracene-1,3-dione;2-[6-[(1,3-dioxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalen-2-ylidene)amino]spiro[10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaene-11,1'-cyclohexane]-15-yl]imino-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[6-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-15-yl]methylidene]indene-1,2-dione;(3Z)-3-[[6-[(Z)-[2,3-dioxo-6-(trifluoromethyl)inden-1-ylidene]methyl]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-15-yl]methylidene]-5-methylindene-1,2-dione is sourced from PubChem (CID 165020212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).