2-[[4-[[1,3-bis(sulfanylidene)inden-2-ylidene]methyl]-8,8-dimethyl-7-oxa-3,12-dithiatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraen-11-yl]methylidene]indene-1,3-dithione;2-[2-[[4-[[1-(dicyanomethylidene)-5,6-difluoro-3-oxoinden-2-ylidene]amino]-8,8-dimethyl-7-oxa-3,12-dithiatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraen-11-yl]imino]-5,6-difluoro-3-oxoinden-1-ylidene]propanedinitrile;2-[[4-[(1,3-dioxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalen-2-ylidene)amino]-8,8-dimethyl-7-oxa-3,12-dithiatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraen-11-yl]imino]-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-1,3-dione;2-[[4-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-8,8-dimethyl-7-oxa-3,12-dithiatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraen-11-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[4-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-8,8-dimethyl-7-oxa-3,12-dithiatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraen-11-yl]methylidene]-6-methylindene-1,2-dione;3-ethyl-5-[[4-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)amino]-8,8-dimethyl-7-oxa-3,12-dithiatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraen-11-yl]imino]-2-sulfanylidene-1,3-thiazolidin-4-one

C196H129F7N12O22S20 — CID 165028939

About 2-[[4-[[1,3-bis(sulfanylidene)inden-2-ylidene]methyl]-8,8-dimethyl-7-oxa-3,12-dithiatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraen-11-yl]methylidene]indene-1,3-dithione;2-[2-[[4-[[1-(dicyanomethylidene)-5,6-difluoro-3-oxoinden-2-ylidene]amino]-8,8-dimethyl-7-oxa-3,12-dithiatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraen-11-yl]imino]-5,6-difluoro-3-oxoinden-1-ylidene]propanedinitrile;2-[[4-[(1,3-dioxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalen-2-ylidene)amino]-8,8-dimethyl-7-oxa-3,12-dithiatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraen-11-yl]imino]-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-1,3-dione;2-[[4-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-8,8-dimethyl-7-oxa-3,12-dithiatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraen-11-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[4-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-8,8-dimethyl-7-oxa-3,12-dithiatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraen-11-yl]methylidene]-6-methylindene-1,2-dione;3-ethyl-5-[[4-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)amino]-8,8-dimethyl-7-oxa-3,12-dithiatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraen-11-yl]imino]-2-sulfanylidene-1,3-thiazolidin-4-one

2-[[4-[[1,3-bis(sulfanylidene)inden-2-ylidene]methyl]-8,8-dimethyl-7-oxa-3,12-dithiatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraen-11-yl]methylidene]indene-1,3-dithione;2-[2-[[4-[[1-(dicyanomethylidene)-5,6-difluoro-3-oxoinden-2-ylidene]amino]-8,8-dimethyl-7-oxa-3,12-dithiatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraen-11-yl]imino]-5,6-difluoro-3-oxoinden-1-ylidene]propanedinitrile;2-[[4-[(1,3-dioxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalen-2-ylidene)amino]-8,8-dimethyl-7-oxa-3,12-dithiatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraen-11-yl]imino]-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-1,3-dione;2-[[4-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-8,8-dimethyl-7-oxa-3,12-dithiatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraen-11-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[4-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-8,8-dimethyl-7-oxa-3,12-dithiatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraen-11-yl]methylidene]-6-methylindene-1,2-dione;3-ethyl-5-[[4-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)amino]-8,8-dimethyl-7-oxa-3,12-dithiatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraen-11-yl]imino]-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 165028939) has the molecular formula C196H129F7N12O22S20 and a molecular weight of 3778.58 g/mol. Its IUPAC name is 2-[[4-[[1,3-bis(sulfanylidene)inden-2-ylidene]methyl]-8,8-dimethyl-7-oxa-3,12-dithiatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraen-11-yl]methylidene]indene-1,3-dithione;2-[2-[[4-[[1-(dicyanomethylidene)-5,6-difluoro-3-oxoinden-2-ylidene]amino]-8,8-dimethyl-7-oxa-3,12-dithiatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraen-11-yl]imino]-5,6-difluoro-3-oxoinden-1-ylidene]propanedinitrile;2-[[4-[(1,3-dioxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalen-2-ylidene)amino]-8,8-dimethyl-7-oxa-3,12-dithiatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraen-11-yl]imino]-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-1,3-dione;2-[[4-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-8,8-dimethyl-7-oxa-3,12-dithiatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraen-11-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[4-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-8,8-dimethyl-7-oxa-3,12-dithiatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraen-11-yl]methylidene]-6-methylindene-1,2-dione;3-ethyl-5-[[4-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)amino]-8,8-dimethyl-7-oxa-3,12-dithiatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraen-11-yl]imino]-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: 2-[[4-[[1,3-bis(sulfanylidene)inden-2-ylidene]methyl]-8,8-dimethyl-7-oxa-3,12-dithiatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraen-11-yl]methylidene]indene-1,3-dithione;2-[2-[[4-[[1-(dicyanomethylidene)-5,6-difluoro-3-oxoinden-2-ylidene]amino]-8,8-dimethyl-7-oxa-3,12-dithiatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraen-11-yl]imino]-5,6-difluoro-3-oxoinden-1-ylidene]propanedinitrile;2-[[4-[(1,3-dioxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalen-2-ylidene)amino]-8,8-dimethyl-7-oxa-3,12-dithiatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraen-11-yl]imino]-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-1,3-dione;2-[[4-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-8,8-dimethyl-7-oxa-3,12-dithiatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraen-11-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[4-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-8,8-dimethyl-7-oxa-3,12-dithiatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraen-11-yl]methylidene]-6-methylindene-1,2-dione;3-ethyl-5-[[4-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)amino]-8,8-dimethyl-7-oxa-3,12-dithiatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraen-11-yl]imino]-2-sulfanylidene-1,3-thiazolidin-4-one
• PubChem CID: 165028939
• Molecular Formula: C196H129F7N12O22S20
• Molecular Weight: 3778.58 g/mol
• Exact Mass: 3774.36
• IUPAC Name: 2-[[4-[[1,3-bis(sulfanylidene)inden-2-ylidene]methyl]-8,8-dimethyl-7-oxa-3,12-dithiatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraen-11-yl]methylidene]indene-1,3-dithione;2-[2-[[4-[[1-(dicyanomethylidene)-5,6-difluoro-3-oxoinden-2-ylidene]amino]-8,8-dimethyl-7-oxa-3,12-dithiatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraen-11-yl]imino]-5,6-difluoro-3-oxoinden-1-ylidene]propanedinitrile;2-[[4-[(1,3-dioxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalen-2-ylidene)amino]-8,8-dimethyl-7-oxa-3,12-dithiatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraen-11-yl]imino]-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-1,3-dione;2-[[4-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-8,8-dimethyl-7-oxa-3,12-dithiatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraen-11-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[4-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-8,8-dimethyl-7-oxa-3,12-dithiatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraen-11-yl]methylidene]-6-methylindene-1,2-dione;3-ethyl-5-[[4-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)amino]-8,8-dimethyl-7-oxa-3,12-dithiatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraen-11-yl]imino]-2-sulfanylidene-1,3-thiazolidin-4-one
• SMILES: CC1(C)Oc2cc(C=C3C(=O)c4cc5ccccc5cc4C3=O)sc2-c2sc(C=C3C(=O)c4cc5ccccc5cc4C3=O)cc21.CC1(C)Oc2cc(C=C3C(=S)c4ccccc4C3=S)sc2-c2sc(C=C3C(=S)c4ccccc4C3=S)cc21.CC1(C)Oc2cc(N=C3C(=O)C4CC5CCCCC5CC4C3=O)sc2-c2sc(N=C3C(=O)C4CC5CCCCC5CC4C3=O)cc21.CC1(C)Oc2cc(N=C3C(=O)c4cc(F)c(F)cc4C3=C(C#N)C#N)sc2-c2sc(N=C3C(=O)c4cc(F)c(F)cc4C3=C(C#N)C#N)cc21.CCN1C(=O)C(=Nc2cc3c(s2)-c2sc(N=C4SC(=S)N(CC)C4=O)cc2C(C)(C)O3)SC1=S.Cc1ccc2c(c1)C(=O)C(=O)/C2=C\c1cc2c(s1)-c1sc(/C=C3\C(=O)C(=O)c4cc(C(F)(F)F)ccc43)cc1OC2(C)C
• InChI: InChI=1S/C39H22O5S2.C37H40N2O5S2.C35H12F4N6O3S2.C33H19F3O5S2.C31H18OS6.C21H18N4O3S6/c1-39(2)31-17-23(15-29-33(40)25-11-19-7-3-4-8-20(19)12-26(25)34(29)41)45-37(31)38-32(44-39)18-24(46-38)16-30-35(42)27-13-21-9-5-6-10-22(21)14-28(27)36(30)43;1-37(2)25-15-27(38-29-31(40)21-11-17-7-3-4-8-18(17)12-22(21)32(29)41)45-35(25)36-26(44-37)16-28(46-36)39-30-33(42)23-13-19-9-5-6-10-20(19)14-24(23)34(30)43;1-35(2)19-7-25(44-29-27(13(9-40)10-41)15-3-20(36)22(38)5-17(15)31(29)46)49-33(19)34-24(48-35)8-26(50-34)45-30-28(14(11-42)12-43)16-4-21(37)23(39)6-18(16)32(30)47;1-14-4-6-18-20(8-14)26(37)28(39)22(18)10-16-12-24-30(42-16)31-25(41-32(24,2)3)13-17(43-31)11-23-19-7-5-15(33(34,35)36)9-21(19)27(38)29(23)40;1-31(2)23-13-15(11-21-25(33)17-7-3-4-8-18(17)26(21)34)37-29(23)30-24(32-31)14-16(38-30)12-22-27(35)19-9-5-6-10-20(19)28(22)36;1-5-24-17(26)15(33-19(24)29)22-11-7-9-13(31-11)14-10(28-21(9,3)4)8-12(32-14)23-16-18(27)25(6-2)20(30)34-16/h3-18H,1-2H3;15-24H,3-14H2,1-2H3;3-8H,1-2H3;4-13H,1-3H3;3-14H,1-2H3;7-8H,5-6H2,1-4H3/b;;;22-10-,23-11-
• InChIKey: ARSRYGADKWNCAY-ZFLGXZCFSA-N
• XLogP: 48.89
• TPSA: 504.30 Ų
• H-Bond Acceptors: 52
• Rotatable Bonds: 14
• Heavy Atoms: 257
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3778.58
LogP ≤ 5	48.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	52

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'ene_five_one_A(55)', 'substructure': 'N/A'}, {'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'ene_cyano_A(19)', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[[1,3-bis(sulfanylidene)inden-2-ylidene]methyl]-8,8-dimethyl-7-oxa-3,12-dithiatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraen-11-yl]methylidene]indene-1,3-dithione;2-[2-[[4-[[1-(dicyanomethylidene)-5,6-difluoro-3-oxoinden-2-ylidene]amino]-8,8-dimethyl-7-oxa-3,12-dithiatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraen-11-yl]imino]-5,6-difluoro-3-oxoinden-1-ylidene]propanedinitrile;2-[[4-[(1,3-dioxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalen-2-ylidene)amino]-8,8-dimethyl-7-oxa-3,12-dithiatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraen-11-yl]imino]-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-1,3-dione;2-[[4-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-8,8-dimethyl-7-oxa-3,12-dithiatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraen-11-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[4-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-8,8-dimethyl-7-oxa-3,12-dithiatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraen-11-yl]methylidene]-6-methylindene-1,2-dione;3-ethyl-5-[[4-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)amino]-8,8-dimethyl-7-oxa-3,12-dithiatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraen-11-yl]imino]-2-sulfanylidene-1,3-thiazolidin-4-one?

The IUPAC name of 2-[[4-[[1,3-bis(sulfanylidene)inden-2-ylidene]methyl]-8,8-dimethyl-7-oxa-3,12-dithiatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraen-11-yl]methylidene]indene-1,3-dithione;2-[2-[[4-[[1-(dicyanomethylidene)-5,6-difluoro-3-oxoinden-2-ylidene]amino]-8,8-dimethyl-7-oxa-3,12-dithiatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraen-11-yl]imino]-5,6-difluoro-3-oxoinden-1-ylidene]propanedinitrile;2-[[4-[(1,3-dioxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalen-2-ylidene)amino]-8,8-dimethyl-7-oxa-3,12-dithiatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraen-11-yl]imino]-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-1,3-dione;2-[[4-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-8,8-dimethyl-7-oxa-3,12-dithiatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraen-11-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[4-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-8,8-dimethyl-7-oxa-3,12-dithiatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraen-11-yl]methylidene]-6-methylindene-1,2-dione;3-ethyl-5-[[4-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)amino]-8,8-dimethyl-7-oxa-3,12-dithiatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraen-11-yl]imino]-2-sulfanylidene-1,3-thiazolidin-4-one (CID 165028939) is 2-[[4-[[1,3-bis(sulfanylidene)inden-2-ylidene]methyl]-8,8-dimethyl-7-oxa-3,12-dithiatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraen-11-yl]methylidene]indene-1,3-dithione;2-[2-[[4-[[1-(dicyanomethylidene)-5,6-difluoro-3-oxoinden-2-ylidene]amino]-8,8-dimethyl-7-oxa-3,12-dithiatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraen-11-yl]imino]-5,6-difluoro-3-oxoinden-1-ylidene]propanedinitrile;2-[[4-[(1,3-dioxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalen-2-ylidene)amino]-8,8-dimethyl-7-oxa-3,12-dithiatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraen-11-yl]imino]-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-1,3-dione;2-[[4-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-8,8-dimethyl-7-oxa-3,12-dithiatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraen-11-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[4-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-8,8-dimethyl-7-oxa-3,12-dithiatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraen-11-yl]methylidene]-6-methylindene-1,2-dione;3-ethyl-5-[[4-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)amino]-8,8-dimethyl-7-oxa-3,12-dithiatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraen-11-yl]imino]-2-sulfanylidene-1,3-thiazolidin-4-one.

What is the SMILES notation for 2-[[4-[[1,3-bis(sulfanylidene)inden-2-ylidene]methyl]-8,8-dimethyl-7-oxa-3,12-dithiatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraen-11-yl]methylidene]indene-1,3-dithione;2-[2-[[4-[[1-(dicyanomethylidene)-5,6-difluoro-3-oxoinden-2-ylidene]amino]-8,8-dimethyl-7-oxa-3,12-dithiatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraen-11-yl]imino]-5,6-difluoro-3-oxoinden-1-ylidene]propanedinitrile;2-[[4-[(1,3-dioxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalen-2-ylidene)amino]-8,8-dimethyl-7-oxa-3,12-dithiatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraen-11-yl]imino]-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-1,3-dione;2-[[4-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-8,8-dimethyl-7-oxa-3,12-dithiatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraen-11-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[4-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-8,8-dimethyl-7-oxa-3,12-dithiatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraen-11-yl]methylidene]-6-methylindene-1,2-dione;3-ethyl-5-[[4-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)amino]-8,8-dimethyl-7-oxa-3,12-dithiatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraen-11-yl]imino]-2-sulfanylidene-1,3-thiazolidin-4-one?

The canonical SMILES for 2-[[4-[[1,3-bis(sulfanylidene)inden-2-ylidene]methyl]-8,8-dimethyl-7-oxa-3,12-dithiatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraen-11-yl]methylidene]indene-1,3-dithione;2-[2-[[4-[[1-(dicyanomethylidene)-5,6-difluoro-3-oxoinden-2-ylidene]amino]-8,8-dimethyl-7-oxa-3,12-dithiatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraen-11-yl]imino]-5,6-difluoro-3-oxoinden-1-ylidene]propanedinitrile;2-[[4-[(1,3-dioxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalen-2-ylidene)amino]-8,8-dimethyl-7-oxa-3,12-dithiatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraen-11-yl]imino]-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-1,3-dione;2-[[4-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-8,8-dimethyl-7-oxa-3,12-dithiatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraen-11-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[4-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-8,8-dimethyl-7-oxa-3,12-dithiatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraen-11-yl]methylidene]-6-methylindene-1,2-dione;3-ethyl-5-[[4-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)amino]-8,8-dimethyl-7-oxa-3,12-dithiatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraen-11-yl]imino]-2-sulfanylidene-1,3-thiazolidin-4-one is CC1(C)Oc2cc(C=C3C(=O)c4cc5ccccc5cc4C3=O)sc2-c2sc(C=C3C(=O)c4cc5ccccc5cc4C3=O)cc21.CC1(C)Oc2cc(C=C3C(=S)c4ccccc4C3=S)sc2-c2sc(C=C3C(=S)c4ccccc4C3=S)cc21.CC1(C)Oc2cc(N=C3C(=O)C4CC5CCCCC5CC4C3=O)sc2-c2sc(N=C3C(=O)C4CC5CCCCC5CC4C3=O)cc21.CC1(C)Oc2cc(N=C3C(=O)c4cc(F)c(F)cc4C3=C(C#N)C#N)sc2-c2sc(N=C3C(=O)c4cc(F)c(F)cc4C3=C(C#N)C#N)cc21.CCN1C(=O)C(=Nc2cc3c(s2)-c2sc(N=C4SC(=S)N(CC)C4=O)cc2C(C)(C)O3)SC1=S.Cc1ccc2c(c1)C(=O)C(=O)/C2=C\c1cc2c(s1)-c1sc(/C=C3\C(=O)C(=O)c4cc(C(F)(F)F)ccc43)cc1OC2(C)C.

What is the InChIKey of 2-[[4-[[1,3-bis(sulfanylidene)inden-2-ylidene]methyl]-8,8-dimethyl-7-oxa-3,12-dithiatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraen-11-yl]methylidene]indene-1,3-dithione;2-[2-[[4-[[1-(dicyanomethylidene)-5,6-difluoro-3-oxoinden-2-ylidene]amino]-8,8-dimethyl-7-oxa-3,12-dithiatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraen-11-yl]imino]-5,6-difluoro-3-oxoinden-1-ylidene]propanedinitrile;2-[[4-[(1,3-dioxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalen-2-ylidene)amino]-8,8-dimethyl-7-oxa-3,12-dithiatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraen-11-yl]imino]-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-1,3-dione;2-[[4-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-8,8-dimethyl-7-oxa-3,12-dithiatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraen-11-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[4-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-8,8-dimethyl-7-oxa-3,12-dithiatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraen-11-yl]methylidene]-6-methylindene-1,2-dione;3-ethyl-5-[[4-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)amino]-8,8-dimethyl-7-oxa-3,12-dithiatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraen-11-yl]imino]-2-sulfanylidene-1,3-thiazolidin-4-one?

The InChIKey is ARSRYGADKWNCAY-ZFLGXZCFSA-N. The full InChI is InChI=1S/C39H22O5S2.C37H40N2O5S2.C35H12F4N6O3S2.C33H19F3O5S2.C31H18OS6.C21H18N4O3S6/c1-39(2)31-17-23(15-29-33(40)25-11-19-7-3-4-8-20(19)12-26(25)34(29)41)45-37(31)38-32(44-39)18-24(46-38)16-30-35(42)27-13-21-9-5-6-10-22(21)14-28(27)36(30)43;1-37(2)25-15-27(38-29-31(40)21-11-17-7-3-4-8-18(17)12-22(21)32(29)41)45-35(25)36-26(44-37)16-28(46-36)39-30-33(42)23-13-19-9-5-6-10-20(19)14-24(23)34(30)43;1-35(2)19-7-25(44-29-27(13(9-40)10-41)15-3-20(36)22(38)5-17(15)31(29)46)49-33(19)34-24(48-35)8-26(50-34)45-30-28(14(11-42)12-43)16-4-21(37)23(39)6-18(16)32(30)47;1-14-4-6-18-20(8-14)26(37)28(39)22(18)10-16-12-24-30(42-16)31-25(41-32(24,2)3)13-17(43-31)11-23-19-7-5-15(33(34,35)36)9-21(19)27(38)29(23)40;1-31(2)23-13-15(11-21-25(33)17-7-3-4-8-18(17)26(21)34)37-29(23)30-24(32-31)14-16(38-30)12-22-27(35)19-9-5-6-10-20(19)28(22)36;1-5-24-17(26)15(33-19(24)29)22-11-7-9-13(31-11)14-10(28-21(9,3)4)8-12(32-14)23-16-18(27)25(6-2)20(30)34-16/h3-18H,1-2H3;15-24H,3-14H2,1-2H3;3-8H,1-2H3;4-13H,1-3H3;3-14H,1-2H3;7-8H,5-6H2,1-4H3/b;;;22-10-,23-11-;;.

What are the key properties of 2-[[4-[[1,3-bis(sulfanylidene)inden-2-ylidene]methyl]-8,8-dimethyl-7-oxa-3,12-dithiatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraen-11-yl]methylidene]indene-1,3-dithione;2-[2-[[4-[[1-(dicyanomethylidene)-5,6-difluoro-3-oxoinden-2-ylidene]amino]-8,8-dimethyl-7-oxa-3,12-dithiatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraen-11-yl]imino]-5,6-difluoro-3-oxoinden-1-ylidene]propanedinitrile;2-[[4-[(1,3-dioxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalen-2-ylidene)amino]-8,8-dimethyl-7-oxa-3,12-dithiatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraen-11-yl]imino]-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-1,3-dione;2-[[4-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-8,8-dimethyl-7-oxa-3,12-dithiatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraen-11-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[4-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-8,8-dimethyl-7-oxa-3,12-dithiatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraen-11-yl]methylidene]-6-methylindene-1,2-dione;3-ethyl-5-[[4-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)amino]-8,8-dimethyl-7-oxa-3,12-dithiatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraen-11-yl]imino]-2-sulfanylidene-1,3-thiazolidin-4-one?

2-[[4-[[1,3-bis(sulfanylidene)inden-2-ylidene]methyl]-8,8-dimethyl-7-oxa-3,12-dithiatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraen-11-yl]methylidene]indene-1,3-dithione;2-[2-[[4-[[1-(dicyanomethylidene)-5,6-difluoro-3-oxoinden-2-ylidene]amino]-8,8-dimethyl-7-oxa-3,12-dithiatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraen-11-yl]imino]-5,6-difluoro-3-oxoinden-1-ylidene]propanedinitrile;2-[[4-[(1,3-dioxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalen-2-ylidene)amino]-8,8-dimethyl-7-oxa-3,12-dithiatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraen-11-yl]imino]-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-1,3-dione;2-[[4-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-8,8-dimethyl-7-oxa-3,12-dithiatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraen-11-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[4-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-8,8-dimethyl-7-oxa-3,12-dithiatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraen-11-yl]methylidene]-6-methylindene-1,2-dione;3-ethyl-5-[[4-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)amino]-8,8-dimethyl-7-oxa-3,12-dithiatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraen-11-yl]imino]-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 3778.58 g/mol, XLogP of 48.89, 14 rotatable bonds, 0 hydrogen bond donors, and 52 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-[[1,3-bis(sulfanylidene)inden-2-ylidene]methyl]-8,8-dimethyl-7-oxa-3,12-dithiatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraen-11-yl]methylidene]indene-1,3-dithione;2-[2-[[4-[[1-(dicyanomethylidene)-5,6-difluoro-3-oxoinden-2-ylidene]amino]-8,8-dimethyl-7-oxa-3,12-dithiatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraen-11-yl]imino]-5,6-difluoro-3-oxoinden-1-ylidene]propanedinitrile;2-[[4-[(1,3-dioxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalen-2-ylidene)amino]-8,8-dimethyl-7-oxa-3,12-dithiatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraen-11-yl]imino]-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-1,3-dione;2-[[4-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-8,8-dimethyl-7-oxa-3,12-dithiatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraen-11-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[4-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-8,8-dimethyl-7-oxa-3,12-dithiatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraen-11-yl]methylidene]-6-methylindene-1,2-dione;3-ethyl-5-[[4-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)amino]-8,8-dimethyl-7-oxa-3,12-dithiatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraen-11-yl]imino]-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 165028939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).