2-[[11-[[1,3-bis(sulfanylidene)inden-2-ylidene]methyl]-3,3,10,10-tetramethyl-7,14-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]indene-1,3-dithione;2-[[11-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]-3,3,10,10-tetramethyl-7,14-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-5,6-difluoroindene-1,3-dione;2-[[11-[(5,6-diisocyano-1,3-dioxoinden-2-ylidene)methyl]-3,3,10,10-tetramethyl-7,14-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-1,3-dioxoindene-5,6-dicarbonitrile;2-[[11-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]-3,3,10,10-tetramethyl-7,14-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]cyclopenta[b]anthracene-1,3-dione;(3Z)-3-[[11-[(Z)-[2,3-dioxo-6-(trifluoromethyl)inden-1-ylidene]methyl]-3,3,10,10-tetramethyl-7,14-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-5-methylindene-1,2-dione;(5E)-5-[[11-[(E)-(5-isocyano-1,4-dimethyl-2,6-dioxo-3-pyridinylidene)methyl]-3,3,10,10-tetramethyl-7,14-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-1,4-dimethyl-2,6-dioxopyridine-3-carbonitrile

C236H149F7N8O20S16 — CID 165038641

About 2-[[11-[[1,3-bis(sulfanylidene)inden-2-ylidene]methyl]-3,3,10,10-tetramethyl-7,14-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]indene-1,3-dithione;2-[[11-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]-3,3,10,10-tetramethyl-7,14-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-5,6-difluoroindene-1,3-dione;2-[[11-[(5,6-diisocyano-1,3-dioxoinden-2-ylidene)methyl]-3,3,10,10-tetramethyl-7,14-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-1,3-dioxoindene-5,6-dicarbonitrile;2-[[11-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]-3,3,10,10-tetramethyl-7,14-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]cyclopenta[b]anthracene-1,3-dione;(3Z)-3-[[11-[(Z)-[2,3-dioxo-6-(trifluoromethyl)inden-1-ylidene]methyl]-3,3,10,10-tetramethyl-7,14-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-5-methylindene-1,2-dione;(5E)-5-[[11-[(E)-(5-isocyano-1,4-dimethyl-2,6-dioxo-3-pyridinylidene)methyl]-3,3,10,10-tetramethyl-7,14-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-1,4-dimethyl-2,6-dioxopyridine-3-carbonitrile

2-[[11-[[1,3-bis(sulfanylidene)inden-2-ylidene]methyl]-3,3,10,10-tetramethyl-7,14-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]indene-1,3-dithione;2-[[11-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]-3,3,10,10-tetramethyl-7,14-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-5,6-difluoroindene-1,3-dione;2-[[11-[(5,6-diisocyano-1,3-dioxoinden-2-ylidene)methyl]-3,3,10,10-tetramethyl-7,14-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-1,3-dioxoindene-5,6-dicarbonitrile;2-[[11-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]-3,3,10,10-tetramethyl-7,14-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]cyclopenta[b]anthracene-1,3-dione;(3Z)-3-[[11-[(Z)-[2,3-dioxo-6-(trifluoromethyl)inden-1-ylidene]methyl]-3,3,10,10-tetramethyl-7,14-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-5-methylindene-1,2-dione;(5E)-5-[[11-[(E)-(5-isocyano-1,4-dimethyl-2,6-dioxo-3-pyridinylidene)methyl]-3,3,10,10-tetramethyl-7,14-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-1,4-dimethyl-2,6-dioxopyridine-3-carbonitrile (PubChem CID 165038641) has the molecular formula C236H149F7N8O20S16 and a molecular weight of 4062.88 g/mol. Its IUPAC name is 2-[[11-[[1,3-bis(sulfanylidene)inden-2-ylidene]methyl]-3,3,10,10-tetramethyl-7,14-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]indene-1,3-dithione;2-[[11-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]-3,3,10,10-tetramethyl-7,14-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-5,6-difluoroindene-1,3-dione;2-[[11-[(5,6-diisocyano-1,3-dioxoinden-2-ylidene)methyl]-3,3,10,10-tetramethyl-7,14-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-1,3-dioxoindene-5,6-dicarbonitrile;2-[[11-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]-3,3,10,10-tetramethyl-7,14-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]cyclopenta[b]anthracene-1,3-dione;(3Z)-3-[[11-[(Z)-[2,3-dioxo-6-(trifluoromethyl)inden-1-ylidene]methyl]-3,3,10,10-tetramethyl-7,14-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-5-methylindene-1,2-dione;(5E)-5-[[11-[(E)-(5-isocyano-1,4-dimethyl-2,6-dioxo-3-pyridinylidene)methyl]-3,3,10,10-tetramethyl-7,14-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-1,4-dimethyl-2,6-dioxopyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 2-[[11-[[1,3-bis(sulfanylidene)inden-2-ylidene]methyl]-3,3,10,10-tetramethyl-7,14-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]indene-1,3-dithione;2-[[11-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]-3,3,10,10-tetramethyl-7,14-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-5,6-difluoroindene-1,3-dione;2-[[11-[(5,6-diisocyano-1,3-dioxoinden-2-ylidene)methyl]-3,3,10,10-tetramethyl-7,14-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-1,3-dioxoindene-5,6-dicarbonitrile;2-[[11-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]-3,3,10,10-tetramethyl-7,14-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]cyclopenta[b]anthracene-1,3-dione;(3Z)-3-[[11-[(Z)-[2,3-dioxo-6-(trifluoromethyl)inden-1-ylidene]methyl]-3,3,10,10-tetramethyl-7,14-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-5-methylindene-1,2-dione;(5E)-5-[[11-[(E)-(5-isocyano-1,4-dimethyl-2,6-dioxo-3-pyridinylidene)methyl]-3,3,10,10-tetramethyl-7,14-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-1,4-dimethyl-2,6-dioxopyridine-3-carbonitrile
• PubChem CID: 165038641
• Molecular Formula: C236H149F7N8O20S16
• Molecular Weight: 4062.88 g/mol
• Exact Mass: 4058.63
• IUPAC Name: 2-[[11-[[1,3-bis(sulfanylidene)inden-2-ylidene]methyl]-3,3,10,10-tetramethyl-7,14-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]indene-1,3-dithione;2-[[11-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]-3,3,10,10-tetramethyl-7,14-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-5,6-difluoroindene-1,3-dione;2-[[11-[(5,6-diisocyano-1,3-dioxoinden-2-ylidene)methyl]-3,3,10,10-tetramethyl-7,14-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-1,3-dioxoindene-5,6-dicarbonitrile;2-[[11-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]-3,3,10,10-tetramethyl-7,14-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]cyclopenta[b]anthracene-1,3-dione;(3Z)-3-[[11-[(Z)-[2,3-dioxo-6-(trifluoromethyl)inden-1-ylidene]methyl]-3,3,10,10-tetramethyl-7,14-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-5-methylindene-1,2-dione;(5E)-5-[[11-[(E)-(5-isocyano-1,4-dimethyl-2,6-dioxo-3-pyridinylidene)methyl]-3,3,10,10-tetramethyl-7,14-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-1,4-dimethyl-2,6-dioxopyridine-3-carbonitrile
• SMILES: CC1(C)C(C=C2C(=O)c3cc(F)c(F)cc3C2=O)=Cc2sc3c4c(sc3c21)C=C(C=C1C(=O)c2cc(F)c(F)cc2C1=O)C4(C)C.CC1(C)C(C=C2C(=O)c3cc4cc5ccccc5cc4cc3C2=O)=Cc2sc3c4c(sc3c21)C=C(C=C1C(=O)c2cc3cc5ccccc5cc3cc2C1=O)C4(C)C.CC1(C)C(C=C2C(=S)c3ccccc3C2=S)=Cc2sc3c4c(sc3c21)C=C(C=C1C(=S)c2ccccc2C1=S)C4(C)C.Cc1ccc2c(c1)/C(=C/C1=Cc3sc4c5c(sc4c3C1(C)C)C=C(/C=C1\C(=O)C(=O)c3ccc(C(F)(F)F)cc31)C5(C)C)C(=O)C2=O.[C-]#[N+]C1=C(C)/C(=C\C2=Cc3sc4c5c(sc4c3C2(C)C)C=C(/C=C2/C(=O)N(C)C(=O)C(C#N)=C2C)C5(C)C)C(=O)N(C)C1=O.[C-]#[N+]c1cc2c(cc1[N+]#[C-])C(=O)C(=CC1=Cc3sc4c5c(sc4c3C1(C)C)C=C(C=C1C(=O)c3cc(C#N)c(C#N)cc3C1=O)C5(C)C)C2=O
• InChI: InChI=1S/C52H32O4S2.C40H20N4O4S2.C38H25F3O4S2.C36H20F4O4S2.C36H24S6.C34H28N4O4S2/c1-51(2)33(21-39-45(53)35-17-29-13-25-9-5-6-10-26(25)14-30(29)18-36(35)46(39)54)23-41-43(51)49-50(57-41)44-42(58-49)24-34(52(44,3)4)22-40-47(55)37-19-31-15-27-11-7-8-12-28(27)16-32(31)20-38(37)48(40)56;1-39(2)19(9-25-33(45)21-7-17(15-41)18(16-42)8-22(21)34(25)46)11-29-31(39)37-38(49-29)32-30(50-37)12-20(40(32,3)4)10-26-35(47)23-13-27(43-5)28(44-6)14-24(23)36(26)48;1-16-6-8-20-22(10-16)24(32(44)30(20)42)12-18-14-26-28(36(18,2)3)34-35(46-26)29-27(47-34)15-19(37(29,4)5)13-25-23-11-17(38(39,40)41)7-9-21(23)31(43)33(25)45;1-35(2)13(5-19-29(41)15-9-21(37)22(38)10-16(15)30(19)42)7-25-27(35)33-34(45-25)28-26(46-33)8-14(36(28,3)4)6-20-31(43)17-11-23(39)24(40)12-18(17)32(20)44;1-35(2)17(13-23-29(37)19-9-5-6-10-20(19)30(23)38)15-25-27(35)33-34(41-25)28-26(42-33)16-18(36(28,3)4)14-24-31(39)21-11-7-8-12-22(21)32(24)40;1-15-19(29(39)37(8)31(41)21(15)14-35)10-17-12-22-24(33(17,3)4)27-28(43-22)25-23(44-27)13-18(34(25,5)6)11-20-16(2)26(36-7)32(42)38(9)30(20)40/h5-24H,1-4H3;7-14H,1-4H3;6-15H,1-5H3;5-12H,1-4H3;5-16H,1-4H3;10-13H,1-6,8-9H3/b;;24-12-,25-13-;;;19-10+,20-11+
• InChIKey: NTVKUWHJVUJXKV-DTRCBRTRSA-N
• XLogP: 56.98
• TPSA: 432.33 Ų
• H-Bond Acceptors: 39
• Rotatable Bonds: 12
• Heavy Atoms: 287
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4062.88
LogP ≤ 5	56.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	39

Frequently Asked Questions

What is the IUPAC name of 2-[[11-[[1,3-bis(sulfanylidene)inden-2-ylidene]methyl]-3,3,10,10-tetramethyl-7,14-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]indene-1,3-dithione;2-[[11-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]-3,3,10,10-tetramethyl-7,14-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-5,6-difluoroindene-1,3-dione;2-[[11-[(5,6-diisocyano-1,3-dioxoinden-2-ylidene)methyl]-3,3,10,10-tetramethyl-7,14-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-1,3-dioxoindene-5,6-dicarbonitrile;2-[[11-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]-3,3,10,10-tetramethyl-7,14-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]cyclopenta[b]anthracene-1,3-dione;(3Z)-3-[[11-[(Z)-[2,3-dioxo-6-(trifluoromethyl)inden-1-ylidene]methyl]-3,3,10,10-tetramethyl-7,14-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-5-methylindene-1,2-dione;(5E)-5-[[11-[(E)-(5-isocyano-1,4-dimethyl-2,6-dioxo-3-pyridinylidene)methyl]-3,3,10,10-tetramethyl-7,14-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-1,4-dimethyl-2,6-dioxopyridine-3-carbonitrile?

The IUPAC name of 2-[[11-[[1,3-bis(sulfanylidene)inden-2-ylidene]methyl]-3,3,10,10-tetramethyl-7,14-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]indene-1,3-dithione;2-[[11-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]-3,3,10,10-tetramethyl-7,14-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-5,6-difluoroindene-1,3-dione;2-[[11-[(5,6-diisocyano-1,3-dioxoinden-2-ylidene)methyl]-3,3,10,10-tetramethyl-7,14-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-1,3-dioxoindene-5,6-dicarbonitrile;2-[[11-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]-3,3,10,10-tetramethyl-7,14-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]cyclopenta[b]anthracene-1,3-dione;(3Z)-3-[[11-[(Z)-[2,3-dioxo-6-(trifluoromethyl)inden-1-ylidene]methyl]-3,3,10,10-tetramethyl-7,14-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-5-methylindene-1,2-dione;(5E)-5-[[11-[(E)-(5-isocyano-1,4-dimethyl-2,6-dioxo-3-pyridinylidene)methyl]-3,3,10,10-tetramethyl-7,14-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-1,4-dimethyl-2,6-dioxopyridine-3-carbonitrile (CID 165038641) is 2-[[11-[[1,3-bis(sulfanylidene)inden-2-ylidene]methyl]-3,3,10,10-tetramethyl-7,14-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]indene-1,3-dithione;2-[[11-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]-3,3,10,10-tetramethyl-7,14-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-5,6-difluoroindene-1,3-dione;2-[[11-[(5,6-diisocyano-1,3-dioxoinden-2-ylidene)methyl]-3,3,10,10-tetramethyl-7,14-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-1,3-dioxoindene-5,6-dicarbonitrile;2-[[11-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]-3,3,10,10-tetramethyl-7,14-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]cyclopenta[b]anthracene-1,3-dione;(3Z)-3-[[11-[(Z)-[2,3-dioxo-6-(trifluoromethyl)inden-1-ylidene]methyl]-3,3,10,10-tetramethyl-7,14-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-5-methylindene-1,2-dione;(5E)-5-[[11-[(E)-(5-isocyano-1,4-dimethyl-2,6-dioxo-3-pyridinylidene)methyl]-3,3,10,10-tetramethyl-7,14-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-1,4-dimethyl-2,6-dioxopyridine-3-carbonitrile.

What is the SMILES notation for 2-[[11-[[1,3-bis(sulfanylidene)inden-2-ylidene]methyl]-3,3,10,10-tetramethyl-7,14-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]indene-1,3-dithione;2-[[11-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]-3,3,10,10-tetramethyl-7,14-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-5,6-difluoroindene-1,3-dione;2-[[11-[(5,6-diisocyano-1,3-dioxoinden-2-ylidene)methyl]-3,3,10,10-tetramethyl-7,14-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-1,3-dioxoindene-5,6-dicarbonitrile;2-[[11-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]-3,3,10,10-tetramethyl-7,14-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]cyclopenta[b]anthracene-1,3-dione;(3Z)-3-[[11-[(Z)-[2,3-dioxo-6-(trifluoromethyl)inden-1-ylidene]methyl]-3,3,10,10-tetramethyl-7,14-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-5-methylindene-1,2-dione;(5E)-5-[[11-[(E)-(5-isocyano-1,4-dimethyl-2,6-dioxo-3-pyridinylidene)methyl]-3,3,10,10-tetramethyl-7,14-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-1,4-dimethyl-2,6-dioxopyridine-3-carbonitrile?

The canonical SMILES for 2-[[11-[[1,3-bis(sulfanylidene)inden-2-ylidene]methyl]-3,3,10,10-tetramethyl-7,14-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]indene-1,3-dithione;2-[[11-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]-3,3,10,10-tetramethyl-7,14-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-5,6-difluoroindene-1,3-dione;2-[[11-[(5,6-diisocyano-1,3-dioxoinden-2-ylidene)methyl]-3,3,10,10-tetramethyl-7,14-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-1,3-dioxoindene-5,6-dicarbonitrile;2-[[11-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]-3,3,10,10-tetramethyl-7,14-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]cyclopenta[b]anthracene-1,3-dione;(3Z)-3-[[11-[(Z)-[2,3-dioxo-6-(trifluoromethyl)inden-1-ylidene]methyl]-3,3,10,10-tetramethyl-7,14-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-5-methylindene-1,2-dione;(5E)-5-[[11-[(E)-(5-isocyano-1,4-dimethyl-2,6-dioxo-3-pyridinylidene)methyl]-3,3,10,10-tetramethyl-7,14-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-1,4-dimethyl-2,6-dioxopyridine-3-carbonitrile is CC1(C)C(C=C2C(=O)c3cc(F)c(F)cc3C2=O)=Cc2sc3c4c(sc3c21)C=C(C=C1C(=O)c2cc(F)c(F)cc2C1=O)C4(C)C.CC1(C)C(C=C2C(=O)c3cc4cc5ccccc5cc4cc3C2=O)=Cc2sc3c4c(sc3c21)C=C(C=C1C(=O)c2cc3cc5ccccc5cc3cc2C1=O)C4(C)C.CC1(C)C(C=C2C(=S)c3ccccc3C2=S)=Cc2sc3c4c(sc3c21)C=C(C=C1C(=S)c2ccccc2C1=S)C4(C)C.Cc1ccc2c(c1)/C(=C/C1=Cc3sc4c5c(sc4c3C1(C)C)C=C(/C=C1\C(=O)C(=O)c3ccc(C(F)(F)F)cc31)C5(C)C)C(=O)C2=O.[C-]#[N+]C1=C(C)/C(=C\C2=Cc3sc4c5c(sc4c3C2(C)C)C=C(/C=C2/C(=O)N(C)C(=O)C(C#N)=C2C)C5(C)C)C(=O)N(C)C1=O.[C-]#[N+]c1cc2c(cc1[N+]#[C-])C(=O)C(=CC1=Cc3sc4c5c(sc4c3C1(C)C)C=C(C=C1C(=O)c3cc(C#N)c(C#N)cc3C1=O)C5(C)C)C2=O.

What is the InChIKey of 2-[[11-[[1,3-bis(sulfanylidene)inden-2-ylidene]methyl]-3,3,10,10-tetramethyl-7,14-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]indene-1,3-dithione;2-[[11-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]-3,3,10,10-tetramethyl-7,14-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-5,6-difluoroindene-1,3-dione;2-[[11-[(5,6-diisocyano-1,3-dioxoinden-2-ylidene)methyl]-3,3,10,10-tetramethyl-7,14-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-1,3-dioxoindene-5,6-dicarbonitrile;2-[[11-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]-3,3,10,10-tetramethyl-7,14-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]cyclopenta[b]anthracene-1,3-dione;(3Z)-3-[[11-[(Z)-[2,3-dioxo-6-(trifluoromethyl)inden-1-ylidene]methyl]-3,3,10,10-tetramethyl-7,14-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-5-methylindene-1,2-dione;(5E)-5-[[11-[(E)-(5-isocyano-1,4-dimethyl-2,6-dioxo-3-pyridinylidene)methyl]-3,3,10,10-tetramethyl-7,14-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-1,4-dimethyl-2,6-dioxopyridine-3-carbonitrile?

The InChIKey is NTVKUWHJVUJXKV-DTRCBRTRSA-N. The full InChI is InChI=1S/C52H32O4S2.C40H20N4O4S2.C38H25F3O4S2.C36H20F4O4S2.C36H24S6.C34H28N4O4S2/c1-51(2)33(21-39-45(53)35-17-29-13-25-9-5-6-10-26(25)14-30(29)18-36(35)46(39)54)23-41-43(51)49-50(57-41)44-42(58-49)24-34(52(44,3)4)22-40-47(55)37-19-31-15-27-11-7-8-12-28(27)16-32(31)20-38(37)48(40)56;1-39(2)19(9-25-33(45)21-7-17(15-41)18(16-42)8-22(21)34(25)46)11-29-31(39)37-38(49-29)32-30(50-37)12-20(40(32,3)4)10-26-35(47)23-13-27(43-5)28(44-6)14-24(23)36(26)48;1-16-6-8-20-22(10-16)24(32(44)30(20)42)12-18-14-26-28(36(18,2)3)34-35(46-26)29-27(47-34)15-19(37(29,4)5)13-25-23-11-17(38(39,40)41)7-9-21(23)31(43)33(25)45;1-35(2)13(5-19-29(41)15-9-21(37)22(38)10-16(15)30(19)42)7-25-27(35)33-34(45-25)28-26(46-33)8-14(36(28,3)4)6-20-31(43)17-11-23(39)24(40)12-18(17)32(20)44;1-35(2)17(13-23-29(37)19-9-5-6-10-20(19)30(23)38)15-25-27(35)33-34(41-25)28-26(42-33)16-18(36(28,3)4)14-24-31(39)21-11-7-8-12-22(21)32(24)40;1-15-19(29(39)37(8)31(41)21(15)14-35)10-17-12-22-24(33(17,3)4)27-28(43-22)25-23(44-27)13-18(34(25,5)6)11-20-16(2)26(36-7)32(42)38(9)30(20)40/h5-24H,1-4H3;7-14H,1-4H3;6-15H,1-5H3;5-12H,1-4H3;5-16H,1-4H3;10-13H,1-6,8-9H3/b;;24-12-,25-13-;;;19-10+,20-11+.

What are the key properties of 2-[[11-[[1,3-bis(sulfanylidene)inden-2-ylidene]methyl]-3,3,10,10-tetramethyl-7,14-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]indene-1,3-dithione;2-[[11-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]-3,3,10,10-tetramethyl-7,14-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-5,6-difluoroindene-1,3-dione;2-[[11-[(5,6-diisocyano-1,3-dioxoinden-2-ylidene)methyl]-3,3,10,10-tetramethyl-7,14-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-1,3-dioxoindene-5,6-dicarbonitrile;2-[[11-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]-3,3,10,10-tetramethyl-7,14-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]cyclopenta[b]anthracene-1,3-dione;(3Z)-3-[[11-[(Z)-[2,3-dioxo-6-(trifluoromethyl)inden-1-ylidene]methyl]-3,3,10,10-tetramethyl-7,14-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-5-methylindene-1,2-dione;(5E)-5-[[11-[(E)-(5-isocyano-1,4-dimethyl-2,6-dioxo-3-pyridinylidene)methyl]-3,3,10,10-tetramethyl-7,14-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-1,4-dimethyl-2,6-dioxopyridine-3-carbonitrile?

2-[[11-[[1,3-bis(sulfanylidene)inden-2-ylidene]methyl]-3,3,10,10-tetramethyl-7,14-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]indene-1,3-dithione;2-[[11-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]-3,3,10,10-tetramethyl-7,14-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-5,6-difluoroindene-1,3-dione;2-[[11-[(5,6-diisocyano-1,3-dioxoinden-2-ylidene)methyl]-3,3,10,10-tetramethyl-7,14-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-1,3-dioxoindene-5,6-dicarbonitrile;2-[[11-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]-3,3,10,10-tetramethyl-7,14-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]cyclopenta[b]anthracene-1,3-dione;(3Z)-3-[[11-[(Z)-[2,3-dioxo-6-(trifluoromethyl)inden-1-ylidene]methyl]-3,3,10,10-tetramethyl-7,14-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-5-methylindene-1,2-dione;(5E)-5-[[11-[(E)-(5-isocyano-1,4-dimethyl-2,6-dioxo-3-pyridinylidene)methyl]-3,3,10,10-tetramethyl-7,14-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-1,4-dimethyl-2,6-dioxopyridine-3-carbonitrile has a molecular weight of 4062.88 g/mol, XLogP of 56.98, 12 rotatable bonds, 0 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[11-[[1,3-bis(sulfanylidene)inden-2-ylidene]methyl]-3,3,10,10-tetramethyl-7,14-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]indene-1,3-dithione;2-[[11-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]-3,3,10,10-tetramethyl-7,14-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-5,6-difluoroindene-1,3-dione;2-[[11-[(5,6-diisocyano-1,3-dioxoinden-2-ylidene)methyl]-3,3,10,10-tetramethyl-7,14-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-1,3-dioxoindene-5,6-dicarbonitrile;2-[[11-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]-3,3,10,10-tetramethyl-7,14-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]cyclopenta[b]anthracene-1,3-dione;(3Z)-3-[[11-[(Z)-[2,3-dioxo-6-(trifluoromethyl)inden-1-ylidene]methyl]-3,3,10,10-tetramethyl-7,14-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-5-methylindene-1,2-dione;(5E)-5-[[11-[(E)-(5-isocyano-1,4-dimethyl-2,6-dioxo-3-pyridinylidene)methyl]-3,3,10,10-tetramethyl-7,14-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-1,4-dimethyl-2,6-dioxopyridine-3-carbonitrile is sourced from PubChem (CID 165038641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).