About 2-[[6-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]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]methylidene]-5,6-difluoroindene-1,3-dione;(3Z)-3-[[6-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]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]methylidene]-5,7-difluoroindene-1,2-dione;2-[[15-[(5,6-diisocyano-1,3-dioxoinden-2-ylidene)methyl]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]methylidene]-1,3-dioxoindene-5,6-dicarbonitrile;2-[[6-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathiapentacyclo[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,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[[6-[(1,3-dioxoinden-2-ylidene)methyl]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]methylidene]indene-1,3-dione;2-[[6-[(1,3-dioxoinden-2-ylidene)methyl]spiro[10-oxa-3,7,14,18-tetrathiapentacyclo[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]methylidene]indene-1,3-dione;ethane;bis(1,1,1-trifluoroethane)
2-[[6-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]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]methylidene]-5,6-difluoroindene-1,3-dione;(3Z)-3-[[6-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]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]methylidene]-5,7-difluoroindene-1,2-dione;2-[[15-[(5,6-diisocyano-1,3-dioxoinden-2-ylidene)methyl]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]methylidene]-1,3-dioxoindene-5,6-dicarbonitrile;2-[[6-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathiapentacyclo[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,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[[6-[(1,3-dioxoinden-2-ylidene)methyl]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]methylidene]indene-1,3-dione;2-[[6-[(1,3-dioxoinden-2-ylidene)methyl]spiro[10-oxa-3,7,14,18-tetrathiapentacyclo[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]methylidene]indene-1,3-dione;ethane;bis(1,1,1-trifluoroethane) (PubChem CID 165033757) has the molecular formula C227H136F14N14O30S24
and a molecular weight of 4575.23 g/mol. Its IUPAC name is 2-[[6-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]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]methylidene]-5,6-difluoroindene-1,3-dione;(3Z)-3-[[6-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]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]methylidene]-5,7-difluoroindene-1,2-dione;2-[[15-[(5,6-diisocyano-1,3-dioxoinden-2-ylidene)methyl]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]methylidene]-1,3-dioxoindene-5,6-dicarbonitrile;2-[[6-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathiapentacyclo[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,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[[6-[(1,3-dioxoinden-2-ylidene)methyl]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]methylidene]indene-1,3-dione;2-[[6-[(1,3-dioxoinden-2-ylidene)methyl]spiro[10-oxa-3,7,14,18-tetrathiapentacyclo[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]methylidene]indene-1,3-dione;ethane;bis(1,1,1-trifluoroethane).
Frequently Asked Questions
What is the IUPAC name of 2-[[6-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]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]methylidene]-5,6-difluoroindene-1,3-dione;(3Z)-3-[[6-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]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]methylidene]-5,7-difluoroindene-1,2-dione;2-[[15-[(5,6-diisocyano-1,3-dioxoinden-2-ylidene)methyl]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]methylidene]-1,3-dioxoindene-5,6-dicarbonitrile;2-[[6-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathiapentacyclo[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,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[[6-[(1,3-dioxoinden-2-ylidene)methyl]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]methylidene]indene-1,3-dione;2-[[6-[(1,3-dioxoinden-2-ylidene)methyl]spiro[10-oxa-3,7,14,18-tetrathiapentacyclo[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]methylidene]indene-1,3-dione;ethane;bis(1,1,1-trifluoroethane)?
The IUPAC name of 2-[[6-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]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]methylidene]-5,6-difluoroindene-1,3-dione;(3Z)-3-[[6-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]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]methylidene]-5,7-difluoroindene-1,2-dione;2-[[15-[(5,6-diisocyano-1,3-dioxoinden-2-ylidene)methyl]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]methylidene]-1,3-dioxoindene-5,6-dicarbonitrile;2-[[6-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathiapentacyclo[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,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[[6-[(1,3-dioxoinden-2-ylidene)methyl]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]methylidene]indene-1,3-dione;2-[[6-[(1,3-dioxoinden-2-ylidene)methyl]spiro[10-oxa-3,7,14,18-tetrathiapentacyclo[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]methylidene]indene-1,3-dione;ethane;bis(1,1,1-trifluoroethane) (CID 165033757) is 2-[[6-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]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]methylidene]-5,6-difluoroindene-1,3-dione;(3Z)-3-[[6-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]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]methylidene]-5,7-difluoroindene-1,2-dione;2-[[15-[(5,6-diisocyano-1,3-dioxoinden-2-ylidene)methyl]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]methylidene]-1,3-dioxoindene-5,6-dicarbonitrile;2-[[6-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathiapentacyclo[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,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[[6-[(1,3-dioxoinden-2-ylidene)methyl]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]methylidene]indene-1,3-dione;2-[[6-[(1,3-dioxoinden-2-ylidene)methyl]spiro[10-oxa-3,7,14,18-tetrathiapentacyclo[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]methylidene]indene-1,3-dione;ethane;bis(1,1,1-trifluoroethane).
What is the SMILES notation for 2-[[6-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]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]methylidene]-5,6-difluoroindene-1,3-dione;(3Z)-3-[[6-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]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]methylidene]-5,7-difluoroindene-1,2-dione;2-[[15-[(5,6-diisocyano-1,3-dioxoinden-2-ylidene)methyl]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]methylidene]-1,3-dioxoindene-5,6-dicarbonitrile;2-[[6-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathiapentacyclo[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,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[[6-[(1,3-dioxoinden-2-ylidene)methyl]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]methylidene]indene-1,3-dione;2-[[6-[(1,3-dioxoinden-2-ylidene)methyl]spiro[10-oxa-3,7,14,18-tetrathiapentacyclo[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]methylidene]indene-1,3-dione;ethane;bis(1,1,1-trifluoroethane)?
The canonical SMILES for 2-[[6-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]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]methylidene]-5,6-difluoroindene-1,3-dione;(3Z)-3-[[6-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]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]methylidene]-5,7-difluoroindene-1,2-dione;2-[[15-[(5,6-diisocyano-1,3-dioxoinden-2-ylidene)methyl]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]methylidene]-1,3-dioxoindene-5,6-dicarbonitrile;2-[[6-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathiapentacyclo[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,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[[6-[(1,3-dioxoinden-2-ylidene)methyl]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]methylidene]indene-1,3-dione;2-[[6-[(1,3-dioxoinden-2-ylidene)methyl]spiro[10-oxa-3,7,14,18-tetrathiapentacyclo[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]methylidene]indene-1,3-dione;ethane;bis(1,1,1-trifluoroethane) is CC.CC.CC(F)(F)F.CC(F)(F)F.CC1(C)Oc2c(sc3cc(N=C4C(=O)C5CCCCC5C4=O)sc23)-c2sc3cc(N=C4C(=O)C5CCCCC5C4=O)sc3c21.O=C1C(=Cc2cc3sc4c(c3s2)OC2(CCCCC2)c2c-4sc3cc(C=C4C(=O)c5ccccc5C4=O)sc23)C(=O)c2ccccc21.O=C1C(=Cc2nc3sc4c(c3s2)OC2(CCCCC2)c2c-4sc3nc(C=C4C(=O)c5cc(F)c(F)cc5C4=O)sc23)C(=O)c2cc(F)c(F)cc21.O=C1C(=Cc2nc3sc4c(c3s2)OC2(CCCCC2)c2c-4sc3nc(C=C4C(=O)c5ccccc5C4=O)sc23)C(=O)c2ccccc21.O=C1C(=O)c2c(F)cc(F)cc2/C1=C/c1nc2sc3c(c2s1)OC1(CCCCC1)c1c-3sc2nc(/C=C3\C(=O)C(=O)c4c(F)cc(F)cc43)sc12.[C-]#[N+]c1cc2c(cc1[N+]#[C-])C(=O)C(=Cc1nc3sc4c(c3s1)C1(CCCCC1)Oc1c-4sc3nc(C=C4C(=O)c5cc(C#N)c(C#N)cc5C4=O)sc13)C2=O.
What is the InChIKey of 2-[[6-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]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]methylidene]-5,6-difluoroindene-1,3-dione;(3Z)-3-[[6-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]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]methylidene]-5,7-difluoroindene-1,2-dione;2-[[15-[(5,6-diisocyano-1,3-dioxoinden-2-ylidene)methyl]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]methylidene]-1,3-dioxoindene-5,6-dicarbonitrile;2-[[6-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathiapentacyclo[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,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[[6-[(1,3-dioxoinden-2-ylidene)methyl]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]methylidene]indene-1,3-dione;2-[[6-[(1,3-dioxoinden-2-ylidene)methyl]spiro[10-oxa-3,7,14,18-tetrathiapentacyclo[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]methylidene]indene-1,3-dione;ethane;bis(1,1,1-trifluoroethane)?
The InChIKey is DCQTZBOBFVOKJV-KXXGEAMQSA-N. The full InChI is InChI=1S/C40H16N6O5S4.C38H22O5S4.2C36H16F4N2O5S4.C36H20N2O5S4.C33H28N2O5S4.2C2H3F3.2C2H6/c1-43-24-10-20-21(11-25(24)44-2)32(50)23(31(20)49)12-26-45-38-35(52-26)28-34(54-38)36-33(51-40(28)6-4-3-5-7-40)37-39(55-36)46-27(53-37)13-22-29(47)18-8-16(14-41)17(15-42)9-19(18)30(22)48;39-29-20-8-2-3-9-21(20)30(40)24(29)14-18-16-26-34(44-18)28-36(46-26)37-33(43-38(28)12-6-1-7-13-38)35-27(47-37)17-19(45-35)15-25-31(41)22-10-4-5-11-23(22)32(25)42;37-18-6-12-13(7-19(18)38)26(44)16(25(12)43)10-22-41-34-31(48-22)24-30(50-34)32-29(47-36(24)4-2-1-3-5-36)33-35(51-32)42-23(49-33)11-17-27(45)14-8-20(39)21(40)9-15(14)28(17)46;37-12-6-14-16(25(43)27(45)22(14)18(39)8-12)10-20-41-34-31(48-20)24-30(50-34)32-29(47-36(24)4-2-1-3-5-36)33-35(51-32)42-21(49-33)11-17-15-7-13(38)9-19(40)23(15)28(46)26(17)44;39-25-16-8-2-3-9-17(16)26(40)20(25)14-22-37-34-31(44-22)24-30(46-34)32-29(43-36(24)12-6-1-7-13-36)33-35(47-32)38-23(45-33)15-21-27(41)18-10-4-5-11-19(18)28(21)42;1-33(2)21-29-17(11-19(43-29)34-22-24(36)13-7-3-4-8-14(13)25(22)37)41-31(21)32-28(40-33)30-18(42-32)12-20(44-30)35-23-26(38)15-9-5-6-10-16(15)27(23)39;2*1-2(3,4)5;2*1-2/h8-13H,3-7H2;2-5,8-11,14-17H,1,6-7,12-13H2;2*6-11H,1-5H2;2-5,8-11,14-15H,1,6-7,12-13H2;11-16H,3-10H2,1-2H3;2*1H3;2*1-2H3/b;;;16-10-,17-11-;;;;;;.
What are the key properties of 2-[[6-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]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]methylidene]-5,6-difluoroindene-1,3-dione;(3Z)-3-[[6-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]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]methylidene]-5,7-difluoroindene-1,2-dione;2-[[15-[(5,6-diisocyano-1,3-dioxoinden-2-ylidene)methyl]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]methylidene]-1,3-dioxoindene-5,6-dicarbonitrile;2-[[6-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathiapentacyclo[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,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[[6-[(1,3-dioxoinden-2-ylidene)methyl]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]methylidene]indene-1,3-dione;2-[[6-[(1,3-dioxoinden-2-ylidene)methyl]spiro[10-oxa-3,7,14,18-tetrathiapentacyclo[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]methylidene]indene-1,3-dione;ethane;bis(1,1,1-trifluoroethane)?
2-[[6-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]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]methylidene]-5,6-difluoroindene-1,3-dione;(3Z)-3-[[6-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]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]methylidene]-5,7-difluoroindene-1,2-dione;2-[[15-[(5,6-diisocyano-1,3-dioxoinden-2-ylidene)methyl]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]methylidene]-1,3-dioxoindene-5,6-dicarbonitrile;2-[[6-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathiapentacyclo[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,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[[6-[(1,3-dioxoinden-2-ylidene)methyl]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]methylidene]indene-1,3-dione;2-[[6-[(1,3-dioxoinden-2-ylidene)methyl]spiro[10-oxa-3,7,14,18-tetrathiapentacyclo[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]methylidene]indene-1,3-dione;ethane;bis(1,1,1-trifluoroethane) has a molecular weight of 4575.23 g/mol, XLogP of 62.50, 12 rotatable bonds, 0 hydrogen bond donors, and 66 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]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]methylidene]-5,6-difluoroindene-1,3-dione;(3Z)-3-[[6-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]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]methylidene]-5,7-difluoroindene-1,2-dione;2-[[15-[(5,6-diisocyano-1,3-dioxoinden-2-ylidene)methyl]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]methylidene]-1,3-dioxoindene-5,6-dicarbonitrile;2-[[6-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathiapentacyclo[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,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[[6-[(1,3-dioxoinden-2-ylidene)methyl]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]methylidene]indene-1,3-dione;2-[[6-[(1,3-dioxoinden-2-ylidene)methyl]spiro[10-oxa-3,7,14,18-tetrathiapentacyclo[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]methylidene]indene-1,3-dione;ethane;bis(1,1,1-trifluoroethane) is sourced from PubChem (CID 165033757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).