About 2-[5-[6-[5-(dicyanomethylideneamino)-3-methoxythiophen-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]-4-methoxythiophen-2-yl]iminopropanedinitrile;2-[[6-[(6,7-difluoro-1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-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]methylidene]-6,7-difluorocyclopenta[b]naphthalene-1,3-dione;2-[[15-[(1,3-dioxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalen-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-6-yl]amino]cyclopenta[b]naphthalene-1,3-dione;2-[[6-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-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]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[6-[(1,3-dioxoinden-2-ylidene)methyl]-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]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-[5-[6-[5-(dicyanomethylideneamino)-3-methoxythiophen-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]-4-methoxythiophen-2-yl]iminopropanedinitrile;2-[[6-[(6,7-difluoro-1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-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]methylidene]-6,7-difluorocyclopenta[b]naphthalene-1,3-dione;2-[[15-[(1,3-dioxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalen-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-6-yl]amino]cyclopenta[b]naphthalene-1,3-dione;2-[[6-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-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]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[6-[(1,3-dioxoinden-2-ylidene)methyl]-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]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 164961570) has the molecular formula C239H146F10N8O28S26
and a molecular weight of 4601.55 g/mol. Its IUPAC name is 2-[5-[6-[5-(dicyanomethylideneamino)-3-methoxythiophen-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]-4-methoxythiophen-2-yl]iminopropanedinitrile;2-[[6-[(6,7-difluoro-1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-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]methylidene]-6,7-difluorocyclopenta[b]naphthalene-1,3-dione;2-[[15-[(1,3-dioxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalen-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-6-yl]amino]cyclopenta[b]naphthalene-1,3-dione;2-[[6-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-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]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[6-[(1,3-dioxoinden-2-ylidene)methyl]-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]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-[5-[6-[5-(dicyanomethylideneamino)-3-methoxythiophen-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]-4-methoxythiophen-2-yl]iminopropanedinitrile;2-[[6-[(6,7-difluoro-1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-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]methylidene]-6,7-difluorocyclopenta[b]naphthalene-1,3-dione;2-[[15-[(1,3-dioxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalen-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-6-yl]amino]cyclopenta[b]naphthalene-1,3-dione;2-[[6-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-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]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[6-[(1,3-dioxoinden-2-ylidene)methyl]-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]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-[5-[6-[5-(dicyanomethylideneamino)-3-methoxythiophen-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]-4-methoxythiophen-2-yl]iminopropanedinitrile;2-[[6-[(6,7-difluoro-1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-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]methylidene]-6,7-difluorocyclopenta[b]naphthalene-1,3-dione;2-[[15-[(1,3-dioxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalen-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-6-yl]amino]cyclopenta[b]naphthalene-1,3-dione;2-[[6-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-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]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[6-[(1,3-dioxoinden-2-ylidene)methyl]-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]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 164961570) is 2-[5-[6-[5-(dicyanomethylideneamino)-3-methoxythiophen-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]-4-methoxythiophen-2-yl]iminopropanedinitrile;2-[[6-[(6,7-difluoro-1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-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]methylidene]-6,7-difluorocyclopenta[b]naphthalene-1,3-dione;2-[[15-[(1,3-dioxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalen-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-6-yl]amino]cyclopenta[b]naphthalene-1,3-dione;2-[[6-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-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]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[6-[(1,3-dioxoinden-2-ylidene)methyl]-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]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-[5-[6-[5-(dicyanomethylideneamino)-3-methoxythiophen-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]-4-methoxythiophen-2-yl]iminopropanedinitrile;2-[[6-[(6,7-difluoro-1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-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]methylidene]-6,7-difluorocyclopenta[b]naphthalene-1,3-dione;2-[[15-[(1,3-dioxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalen-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-6-yl]amino]cyclopenta[b]naphthalene-1,3-dione;2-[[6-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-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]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[6-[(1,3-dioxoinden-2-ylidene)methyl]-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]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-[5-[6-[5-(dicyanomethylideneamino)-3-methoxythiophen-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]-4-methoxythiophen-2-yl]iminopropanedinitrile;2-[[6-[(6,7-difluoro-1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-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]methylidene]-6,7-difluorocyclopenta[b]naphthalene-1,3-dione;2-[[15-[(1,3-dioxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalen-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-6-yl]amino]cyclopenta[b]naphthalene-1,3-dione;2-[[6-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-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]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[6-[(1,3-dioxoinden-2-ylidene)methyl]-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]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(C=C4C(=O)c5cc6cc(F)c(F)cc6cc5C4=O)sc23)-c2sc3cc(C=C4C(=O)c5cc6cc(F)c(F)cc6cc5C4=O)sc3c21.CC1(C)Oc2c(sc3cc(C=C4C(=O)c5cc6ccccc6cc5C4=O)sc23)-c2sc3cc(C=C4C(=O)c5cc6ccccc6cc5C4=O)sc3c21.CC1(C)Oc2c(sc3cc(C=C4C(=O)c5ccccc5C4=O)sc23)-c2sc3cc(C=C4C(=O)c5ccccc5C4=O)sc3c21.CC1(C)Oc2c(sc3cc(NC4C(=O)c5cc6ccccc6cc5C4=O)sc23)-c2sc3cc(N=C4C(=O)C5CC6CCCCC6CC5C4=O)sc3c21.COc1cc(N=C(C#N)C#N)sc1-c1cc2sc3c(c2s1)OC(C)(C)c1c-3sc2cc(-c3sc(N=C(C#N)C#N)cc3OC)sc12.O=C1C(=Cc2cc3sc4c(c3s2)OC2(CCCCC2)c2c-4sc3cc(C=C4C(=O)c5ccccc5C4=O)sc23)C(=O)c2ccccc21.
What is the InChIKey of 2-[5-[6-[5-(dicyanomethylideneamino)-3-methoxythiophen-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]-4-methoxythiophen-2-yl]iminopropanedinitrile;2-[[6-[(6,7-difluoro-1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-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]methylidene]-6,7-difluorocyclopenta[b]naphthalene-1,3-dione;2-[[15-[(1,3-dioxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalen-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-6-yl]amino]cyclopenta[b]naphthalene-1,3-dione;2-[[6-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-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]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[6-[(1,3-dioxoinden-2-ylidene)methyl]-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]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 DSGXVMCFMKYCNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H18F4O5S4.C43H22O5S4.C41H32N2O5S4.C38H22O5S4.C35H18O5S4.C31H16N6O3S6.2C2H3F3.2C2H6/c1-43(2)33-39-31(13-19(53-39)11-25-34(48)21-3-15-7-27(44)28(45)8-16(15)4-22(21)35(25)49)55-41(33)42-38(52-43)40-32(56-42)14-20(54-40)12-26-36(50)23-5-17-9-29(46)30(47)10-18(17)6-24(23)37(26)51;1-43(2)33-39-31(17-23(49-39)15-29-34(44)25-11-19-7-3-4-8-20(19)12-26(25)35(29)45)51-41(33)42-38(48-43)40-32(52-42)18-24(50-40)16-30-36(46)27-13-21-9-5-6-10-22(21)14-28(27)37(30)47;1-41(2)29-37-25(15-27(51-37)42-30-32(44)21-11-17-7-3-4-8-18(17)12-22(21)33(30)45)49-39(29)40-36(48-41)38-26(50-40)16-28(52-38)43-31-34(46)23-13-19-9-5-6-10-20(19)14-24(23)35(31)47;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;1-35(2)25-31-23(13-15(41-31)11-21-26(36)17-7-3-4-8-18(17)27(21)37)43-33(25)34-30(40-35)32-24(44-34)14-16(42-32)12-22-28(38)19-9-5-6-10-20(19)29(22)39;1-31(2)23-27-19(7-17(41-27)25-15(38-3)5-21(45-25)36-13(9-32)10-33)43-29(23)30-24(40-31)28-20(44-30)8-18(42-28)26-16(39-4)6-22(46-26)37-14(11-34)12-35;2*1-2(3,4)5;2*1-2/h3-14H,1-2H3;3-18H,1-2H3;5-6,9-10,13-18,21-22,31,43H,3-4,7-8,11-12H2,1-2H3;2-5,8-11,14-17H,1,6-7,12-13H2;3-14H,1-2H3;5-8H,1-4H3;2*1H3;2*1-2H3.
What are the key properties of 2-[5-[6-[5-(dicyanomethylideneamino)-3-methoxythiophen-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]-4-methoxythiophen-2-yl]iminopropanedinitrile;2-[[6-[(6,7-difluoro-1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-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]methylidene]-6,7-difluorocyclopenta[b]naphthalene-1,3-dione;2-[[15-[(1,3-dioxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalen-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-6-yl]amino]cyclopenta[b]naphthalene-1,3-dione;2-[[6-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-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]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[6-[(1,3-dioxoinden-2-ylidene)methyl]-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]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-[5-[6-[5-(dicyanomethylideneamino)-3-methoxythiophen-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]-4-methoxythiophen-2-yl]iminopropanedinitrile;2-[[6-[(6,7-difluoro-1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-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]methylidene]-6,7-difluorocyclopenta[b]naphthalene-1,3-dione;2-[[15-[(1,3-dioxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalen-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-6-yl]amino]cyclopenta[b]naphthalene-1,3-dione;2-[[6-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-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]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[6-[(1,3-dioxoinden-2-ylidene)methyl]-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]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 4601.55 g/mol, XLogP of 69.97, 17 rotatable bonds, 1 hydrogen bond donors, and 62 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[6-[5-(dicyanomethylideneamino)-3-methoxythiophen-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]-4-methoxythiophen-2-yl]iminopropanedinitrile;2-[[6-[(6,7-difluoro-1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-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]methylidene]-6,7-difluorocyclopenta[b]naphthalene-1,3-dione;2-[[15-[(1,3-dioxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalen-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-6-yl]amino]cyclopenta[b]naphthalene-1,3-dione;2-[[6-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-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]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[6-[(1,3-dioxoinden-2-ylidene)methyl]-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]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 164961570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).