About 2-[[6-[[1,3-bis(sulfanylidene)-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-dithione;2-[5-[6-[5-(dicyanomethylideneamino)thiophen-2-yl]-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]thiophen-2-yl]iminopropanedinitrile;2-[3-[6-[3-(dicyanomethylidene)cyclohexen-1-yl]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]cyclohex-2-en-1-ylidene]propanedinitrile;2-[2-[[6-[[1-(dicyanomethylidene)-3-oxoinden-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]-3-oxoinden-1-ylidene]propanedinitrile;2-[(2Z)-2-[[6-[(Z)-[1-(dicyanomethylidene)-3-oxoinden-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]-3-oxoinden-1-ylidene]propanedinitrile;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;ethane;bis(1,1,1-trifluoroethane)
2-[[6-[[1,3-bis(sulfanylidene)-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-dithione;2-[5-[6-[5-(dicyanomethylideneamino)thiophen-2-yl]-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]thiophen-2-yl]iminopropanedinitrile;2-[3-[6-[3-(dicyanomethylidene)cyclohexen-1-yl]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]cyclohex-2-en-1-ylidene]propanedinitrile;2-[2-[[6-[[1-(dicyanomethylidene)-3-oxoinden-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]-3-oxoinden-1-ylidene]propanedinitrile;2-[(2Z)-2-[[6-[(Z)-[1-(dicyanomethylidene)-3-oxoinden-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]-3-oxoinden-1-ylidene]propanedinitrile;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;ethane;bis(1,1,1-trifluoroethane) (PubChem CID 165043085) has the molecular formula C222H150F6N24O14S30
and a molecular weight of 4453.79 g/mol. Its IUPAC name is 2-[[6-[[1,3-bis(sulfanylidene)-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-dithione;2-[5-[6-[5-(dicyanomethylideneamino)thiophen-2-yl]-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]thiophen-2-yl]iminopropanedinitrile;2-[3-[6-[3-(dicyanomethylidene)cyclohexen-1-yl]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]cyclohex-2-en-1-ylidene]propanedinitrile;2-[2-[[6-[[1-(dicyanomethylidene)-3-oxoinden-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]-3-oxoinden-1-ylidene]propanedinitrile;2-[(2Z)-2-[[6-[(Z)-[1-(dicyanomethylidene)-3-oxoinden-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]-3-oxoinden-1-ylidene]propanedinitrile;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;ethane;bis(1,1,1-trifluoroethane).
Frequently Asked Questions
What is the IUPAC name of 2-[[6-[[1,3-bis(sulfanylidene)-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-dithione;2-[5-[6-[5-(dicyanomethylideneamino)thiophen-2-yl]-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]thiophen-2-yl]iminopropanedinitrile;2-[3-[6-[3-(dicyanomethylidene)cyclohexen-1-yl]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]cyclohex-2-en-1-ylidene]propanedinitrile;2-[2-[[6-[[1-(dicyanomethylidene)-3-oxoinden-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]-3-oxoinden-1-ylidene]propanedinitrile;2-[(2Z)-2-[[6-[(Z)-[1-(dicyanomethylidene)-3-oxoinden-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]-3-oxoinden-1-ylidene]propanedinitrile;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;ethane;bis(1,1,1-trifluoroethane)?
The IUPAC name of 2-[[6-[[1,3-bis(sulfanylidene)-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-dithione;2-[5-[6-[5-(dicyanomethylideneamino)thiophen-2-yl]-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]thiophen-2-yl]iminopropanedinitrile;2-[3-[6-[3-(dicyanomethylidene)cyclohexen-1-yl]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]cyclohex-2-en-1-ylidene]propanedinitrile;2-[2-[[6-[[1-(dicyanomethylidene)-3-oxoinden-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]-3-oxoinden-1-ylidene]propanedinitrile;2-[(2Z)-2-[[6-[(Z)-[1-(dicyanomethylidene)-3-oxoinden-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]-3-oxoinden-1-ylidene]propanedinitrile;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;ethane;bis(1,1,1-trifluoroethane) (CID 165043085) is 2-[[6-[[1,3-bis(sulfanylidene)-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-dithione;2-[5-[6-[5-(dicyanomethylideneamino)thiophen-2-yl]-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]thiophen-2-yl]iminopropanedinitrile;2-[3-[6-[3-(dicyanomethylidene)cyclohexen-1-yl]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]cyclohex-2-en-1-ylidene]propanedinitrile;2-[2-[[6-[[1-(dicyanomethylidene)-3-oxoinden-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]-3-oxoinden-1-ylidene]propanedinitrile;2-[(2Z)-2-[[6-[(Z)-[1-(dicyanomethylidene)-3-oxoinden-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]-3-oxoinden-1-ylidene]propanedinitrile;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;ethane;bis(1,1,1-trifluoroethane).
What is the SMILES notation for 2-[[6-[[1,3-bis(sulfanylidene)-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-dithione;2-[5-[6-[5-(dicyanomethylideneamino)thiophen-2-yl]-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]thiophen-2-yl]iminopropanedinitrile;2-[3-[6-[3-(dicyanomethylidene)cyclohexen-1-yl]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]cyclohex-2-en-1-ylidene]propanedinitrile;2-[2-[[6-[[1-(dicyanomethylidene)-3-oxoinden-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]-3-oxoinden-1-ylidene]propanedinitrile;2-[(2Z)-2-[[6-[(Z)-[1-(dicyanomethylidene)-3-oxoinden-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]-3-oxoinden-1-ylidene]propanedinitrile;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;ethane;bis(1,1,1-trifluoroethane)?
The canonical SMILES for 2-[[6-[[1,3-bis(sulfanylidene)-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-dithione;2-[5-[6-[5-(dicyanomethylideneamino)thiophen-2-yl]-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]thiophen-2-yl]iminopropanedinitrile;2-[3-[6-[3-(dicyanomethylidene)cyclohexen-1-yl]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]cyclohex-2-en-1-ylidene]propanedinitrile;2-[2-[[6-[[1-(dicyanomethylidene)-3-oxoinden-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]-3-oxoinden-1-ylidene]propanedinitrile;2-[(2Z)-2-[[6-[(Z)-[1-(dicyanomethylidene)-3-oxoinden-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]-3-oxoinden-1-ylidene]propanedinitrile;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;ethane;bis(1,1,1-trifluoroethane) is CC.CC.CC(F)(F)F.CC(F)(F)F.CC1(C)Oc2c(sc3cc(-c4ccc(N=C(C#N)C#N)s4)sc23)-c2sc3cc(-c4ccc(N=C(C#N)C#N)s4)sc3c21.CC1(C)Oc2c(sc3cc(N=C4C(=O)C5CCCCC5C4=O)sc23)-c2sc3cc(N=C4C(=O)C5CCCCC5C4=O)sc3c21.CC1(C)Oc2c(sc3cc(N=C4C(=O)c5ccccc5C4=C(C#N)C#N)sc23)-c2sc3cc(N=C4C(=O)c5ccccc5C4=C(C#N)C#N)sc3c21.CC1(C)Oc2c(sc3cc(N=C4C(=S)C5CCCCC5C4=S)sc23)-c2sc3cc(N=C4C(=S)C5CCCCC5C4=S)sc3c21.N#CC(C#N)=C1/C(=C/c2cc3sc4c(c3s2)OC2(CCCCC2)c2c-4sc3cc(/C=C4\C(=O)c5ccccc5C4=C(C#N)C#N)sc23)C(=O)c2ccccc21.N#CC(C#N)=C1C=C(c2cc3sc4c(c3s2)OC2(CCCCC2)c2c-4sc3cc(C4=CC(=C(C#N)C#N)CCC4)sc23)CCC1.
What is the InChIKey of 2-[[6-[[1,3-bis(sulfanylidene)-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-dithione;2-[5-[6-[5-(dicyanomethylideneamino)thiophen-2-yl]-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]thiophen-2-yl]iminopropanedinitrile;2-[3-[6-[3-(dicyanomethylidene)cyclohexen-1-yl]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]cyclohex-2-en-1-ylidene]propanedinitrile;2-[2-[[6-[[1-(dicyanomethylidene)-3-oxoinden-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]-3-oxoinden-1-ylidene]propanedinitrile;2-[(2Z)-2-[[6-[(Z)-[1-(dicyanomethylidene)-3-oxoinden-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]-3-oxoinden-1-ylidene]propanedinitrile;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;ethane;bis(1,1,1-trifluoroethane)?
The InChIKey is HQGJTTHQHNGSJL-YZKMDUAKSA-N. The full InChI is InChI=1S/C44H22N4O3S4.C39H16N6O3S4.C36H26N4OS4.C33H28N2O5S4.C33H28N2OS8.C29H12N6OS6.2C2H3F3.2C2H6/c45-18-22(19-46)34-26-8-2-4-10-28(26)37(49)30(34)14-24-16-32-40(52-24)36-42(54-32)43-39(51-44(36)12-6-1-7-13-44)41-33(55-43)17-25(53-41)15-31-35(23(20-47)21-48)27-9-3-5-11-29(27)38(31)50;1-39(2)29-35-23(11-25(51-35)44-30-27(17(13-40)14-41)19-7-3-5-9-21(19)32(30)46)49-37(29)38-34(48-39)36-24(50-38)12-26(52-36)45-31-28(18(15-42)16-43)20-8-4-6-10-22(20)33(31)47;37-16-24(17-38)20-6-4-8-22(12-20)26-14-28-32(42-26)30-34(44-28)35-31(41-36(30)10-2-1-3-11-36)33-29(45-35)15-27(43-33)23-9-5-7-21(13-23)25(18-39)19-40;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;1-33(2)21-29-17(11-19(43-29)34-22-25(37)13-7-3-4-8-14(13)26(22)38)41-31(21)32-24(36-33)30-18(42-32)12-20(44-30)35-23-27(39)15-9-5-6-10-16(15)28(23)40;1-29(2)23-25-19(7-17(39-25)15-3-5-21(37-15)34-13(9-30)10-31)41-27(23)28-24(36-29)26-20(42-28)8-18(40-26)16-4-6-22(38-16)35-14(11-32)12-33;2*1-2(3,4)5;2*1-2/h2-5,8-11,14-17H,1,6-7,12-13H2;3-12H,1-2H3;12-15H,1-11H2;2*11-16H,3-10H2,1-2H3;3-8H,1-2H3;2*1H3;2*1-2H3/b30-14-,31-15-;;;;;;;;;.
What are the key properties of 2-[[6-[[1,3-bis(sulfanylidene)-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-dithione;2-[5-[6-[5-(dicyanomethylideneamino)thiophen-2-yl]-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]thiophen-2-yl]iminopropanedinitrile;2-[3-[6-[3-(dicyanomethylidene)cyclohexen-1-yl]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]cyclohex-2-en-1-ylidene]propanedinitrile;2-[2-[[6-[[1-(dicyanomethylidene)-3-oxoinden-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]-3-oxoinden-1-ylidene]propanedinitrile;2-[(2Z)-2-[[6-[(Z)-[1-(dicyanomethylidene)-3-oxoinden-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]-3-oxoinden-1-ylidene]propanedinitrile;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;ethane;bis(1,1,1-trifluoroethane)?
2-[[6-[[1,3-bis(sulfanylidene)-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-dithione;2-[5-[6-[5-(dicyanomethylideneamino)thiophen-2-yl]-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]thiophen-2-yl]iminopropanedinitrile;2-[3-[6-[3-(dicyanomethylidene)cyclohexen-1-yl]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]cyclohex-2-en-1-ylidene]propanedinitrile;2-[2-[[6-[[1-(dicyanomethylidene)-3-oxoinden-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]-3-oxoinden-1-ylidene]propanedinitrile;2-[(2Z)-2-[[6-[(Z)-[1-(dicyanomethylidene)-3-oxoinden-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]-3-oxoinden-1-ylidene]propanedinitrile;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;ethane;bis(1,1,1-trifluoroethane) has a molecular weight of 4453.79 g/mol, XLogP of 68.78, 14 rotatable bonds, 0 hydrogen bond donors, and 68 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[[1,3-bis(sulfanylidene)-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-dithione;2-[5-[6-[5-(dicyanomethylideneamino)thiophen-2-yl]-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]thiophen-2-yl]iminopropanedinitrile;2-[3-[6-[3-(dicyanomethylidene)cyclohexen-1-yl]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]cyclohex-2-en-1-ylidene]propanedinitrile;2-[2-[[6-[[1-(dicyanomethylidene)-3-oxoinden-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]-3-oxoinden-1-ylidene]propanedinitrile;2-[(2Z)-2-[[6-[(Z)-[1-(dicyanomethylidene)-3-oxoinden-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]-3-oxoinden-1-ylidene]propanedinitrile;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;ethane;bis(1,1,1-trifluoroethane) is sourced from PubChem (CID 165043085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).