2-[[4-(dicyanomethylideneamino)-7,10-dimethyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]imino]propanedinitrile;2-[5-[4-[5-(dicyanomethylideneamino)-3-methoxythiophen-2-yl]-7-methyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]-4-methoxythiophen-2-yl]iminopropanedinitrile;2-[5-[4-[5-(dicyanomethylideneamino)thiophen-2-yl]-7,10-dimethyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]thiophen-2-yl]iminopropanedinitrile;2-[2-[[4-[[1-(dicyanomethylidene)-5,6-difluoro-3-oxoinden-2-ylidene]amino]-7,10-dimethyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]imino]-5,6-difluoro-3-oxoinden-1-ylidene]propanedinitrile;2-[[4-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-7,10-dimethyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[4-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-7,10-dimethyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]methylidene]-6-(trifluoromethyl)indene-1,2-dione

C181H84F10N36O12S16 — CID 165013297

About 2-[[4-(dicyanomethylideneamino)-7,10-dimethyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]imino]propanedinitrile;2-[5-[4-[5-(dicyanomethylideneamino)-3-methoxythiophen-2-yl]-7-methyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]-4-methoxythiophen-2-yl]iminopropanedinitrile;2-[5-[4-[5-(dicyanomethylideneamino)thiophen-2-yl]-7,10-dimethyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]thiophen-2-yl]iminopropanedinitrile;2-[2-[[4-[[1-(dicyanomethylidene)-5,6-difluoro-3-oxoinden-2-ylidene]amino]-7,10-dimethyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]imino]-5,6-difluoro-3-oxoinden-1-ylidene]propanedinitrile;2-[[4-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-7,10-dimethyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[4-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-7,10-dimethyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]methylidene]-6-(trifluoromethyl)indene-1,2-dione

2-[[4-(dicyanomethylideneamino)-7,10-dimethyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]imino]propanedinitrile;2-[5-[4-[5-(dicyanomethylideneamino)-3-methoxythiophen-2-yl]-7-methyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]-4-methoxythiophen-2-yl]iminopropanedinitrile;2-[5-[4-[5-(dicyanomethylideneamino)thiophen-2-yl]-7,10-dimethyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]thiophen-2-yl]iminopropanedinitrile;2-[2-[[4-[[1-(dicyanomethylidene)-5,6-difluoro-3-oxoinden-2-ylidene]amino]-7,10-dimethyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]imino]-5,6-difluoro-3-oxoinden-1-ylidene]propanedinitrile;2-[[4-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-7,10-dimethyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[4-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-7,10-dimethyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]methylidene]-6-(trifluoromethyl)indene-1,2-dione (PubChem CID 165013297) has the molecular formula C181H84F10N36O12S16 and a molecular weight of 3657.95 g/mol. Its IUPAC name is 2-[[4-(dicyanomethylideneamino)-7,10-dimethyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]imino]propanedinitrile;2-[5-[4-[5-(dicyanomethylideneamino)-3-methoxythiophen-2-yl]-7-methyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]-4-methoxythiophen-2-yl]iminopropanedinitrile;2-[5-[4-[5-(dicyanomethylideneamino)thiophen-2-yl]-7,10-dimethyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]thiophen-2-yl]iminopropanedinitrile;2-[2-[[4-[[1-(dicyanomethylidene)-5,6-difluoro-3-oxoinden-2-ylidene]amino]-7,10-dimethyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]imino]-5,6-difluoro-3-oxoinden-1-ylidene]propanedinitrile;2-[[4-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-7,10-dimethyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[4-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-7,10-dimethyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]methylidene]-6-(trifluoromethyl)indene-1,2-dione.

Molecular Properties

• Compound Name: 2-[[4-(dicyanomethylideneamino)-7,10-dimethyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]imino]propanedinitrile;2-[5-[4-[5-(dicyanomethylideneamino)-3-methoxythiophen-2-yl]-7-methyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]-4-methoxythiophen-2-yl]iminopropanedinitrile;2-[5-[4-[5-(dicyanomethylideneamino)thiophen-2-yl]-7,10-dimethyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]thiophen-2-yl]iminopropanedinitrile;2-[2-[[4-[[1-(dicyanomethylidene)-5,6-difluoro-3-oxoinden-2-ylidene]amino]-7,10-dimethyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]imino]-5,6-difluoro-3-oxoinden-1-ylidene]propanedinitrile;2-[[4-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-7,10-dimethyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[4-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-7,10-dimethyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]methylidene]-6-(trifluoromethyl)indene-1,2-dione
• PubChem CID: 165013297
• Molecular Formula: C181H84F10N36O12S16
• Molecular Weight: 3657.95 g/mol
• Exact Mass: 3654.24
• IUPAC Name: 2-[[4-(dicyanomethylideneamino)-7,10-dimethyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]imino]propanedinitrile;2-[5-[4-[5-(dicyanomethylideneamino)-3-methoxythiophen-2-yl]-7-methyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]-4-methoxythiophen-2-yl]iminopropanedinitrile;2-[5-[4-[5-(dicyanomethylideneamino)thiophen-2-yl]-7,10-dimethyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]thiophen-2-yl]iminopropanedinitrile;2-[2-[[4-[[1-(dicyanomethylidene)-5,6-difluoro-3-oxoinden-2-ylidene]amino]-7,10-dimethyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]imino]-5,6-difluoro-3-oxoinden-1-ylidene]propanedinitrile;2-[[4-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-7,10-dimethyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[4-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-7,10-dimethyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]methylidene]-6-(trifluoromethyl)indene-1,2-dione
• SMILES: COc1cc(N=C(C#N)C#N)sc1-c1cc2sc3c4sc(-c5sc(N=C(C#N)C#N)cc5OC)cc4n(C)c3c2[nH]1.Cn1c(-c2ccc(N=C(C#N)C#N)s2)cc2sc3c4sc(-c5ccc(N=C(C#N)C#N)s5)cc4n(C)c3c21.Cn1c(/C=C2\C(=O)C(=O)c3cc(C(F)(F)F)ccc32)cc2sc3c4sc(/C=C5\C(=O)C(=O)c6cc(C(F)(F)F)ccc65)cc4n(C)c3c21.Cn1c(C=C2C(=O)c3cc4ccccc4cc3C2=O)cc2sc3c4sc(C=C5C(=O)c6cc7ccccc7cc6C5=O)cc4n(C)c3c21.Cn1c(N=C(C#N)C#N)cc2sc3c4sc(N=C(C#N)C#N)cc4n(C)c3c21.Cn1c(N=C2C(=O)c3cc(F)c(F)cc3C2=C(C#N)C#N)cc2sc3c4sc(N=C5C(=O)c6cc(F)c(F)cc6C5=C(C#N)C#N)cc4n(C)c3c21
• InChI: InChI=1S/C40H22N2O4S2.C36H12F4N8O2S2.C34H16F6N2O4S2.C27H14N8O2S4.C26H12N8S4.C18H8N8S2/c1-41-23(15-29-35(43)25-11-19-7-3-4-8-20(19)12-26(25)36(29)44)16-32-33(41)34-40(48-32)39-31(42(34)2)18-24(47-39)17-30-37(45)27-13-21-9-5-6-10-22(21)14-28(27)38(30)46;1-47-23-7-26(46-30-28(14(11-43)12-44)16-4-20(38)22(40)6-18(16)34(30)50)52-35(23)36-32(47)31-24(51-36)8-25(48(31)2)45-29-27(13(9-41)10-42)15-3-19(37)21(39)5-17(15)33(29)49;1-41-15(9-21-17-5-3-13(33(35,36)37)7-19(17)27(43)29(21)45)10-24-25(41)26-32(48-24)31-23(42(26)2)12-16(47-31)11-22-18-6-4-14(34(38,39)40)8-20(18)28(44)30(22)46;1-35-15-5-19(26-17(37-3)7-21(41-26)33-13(10-30)11-31)39-25(15)27-23(35)22-18(38-27)4-14(34-22)24-16(36-2)6-20(40-24)32-12(8-28)9-29;1-33-15(17-3-5-21(35-17)31-13(9-27)10-28)7-20-23(33)24-26(38-20)25-16(34(24)2)8-19(37-25)18-4-6-22(36-18)32-14(11-29)12-30;1-25-11-3-14(24-10(7-21)8-22)28-17(11)18-16(25)15-12(27-18)4-13(26(15)2)23-9(5-19)6-20/h3-18H,1-2H3;3-8H,1-2H3;3-12H,1-2H3;4-7,34H,1-3H3;3-8H,1-2H3;3-4H,1-2H3/b;;21-9-,22-11-
• InChIKey: KAJOGZYAYAENRC-JXAJWHBHSA-N
• XLogP: 45.29
• TPSA: 738.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 63
• Rotatable Bonds: 18
• Heavy Atoms: 255
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3657.95
LogP ≤ 5	45.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	63

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': 'ene_cyano_A(19)', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(dicyanomethylideneamino)-7,10-dimethyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]imino]propanedinitrile;2-[5-[4-[5-(dicyanomethylideneamino)-3-methoxythiophen-2-yl]-7-methyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]-4-methoxythiophen-2-yl]iminopropanedinitrile;2-[5-[4-[5-(dicyanomethylideneamino)thiophen-2-yl]-7,10-dimethyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]thiophen-2-yl]iminopropanedinitrile;2-[2-[[4-[[1-(dicyanomethylidene)-5,6-difluoro-3-oxoinden-2-ylidene]amino]-7,10-dimethyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]imino]-5,6-difluoro-3-oxoinden-1-ylidene]propanedinitrile;2-[[4-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-7,10-dimethyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[4-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-7,10-dimethyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]methylidene]-6-(trifluoromethyl)indene-1,2-dione?

The IUPAC name of 2-[[4-(dicyanomethylideneamino)-7,10-dimethyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]imino]propanedinitrile;2-[5-[4-[5-(dicyanomethylideneamino)-3-methoxythiophen-2-yl]-7-methyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]-4-methoxythiophen-2-yl]iminopropanedinitrile;2-[5-[4-[5-(dicyanomethylideneamino)thiophen-2-yl]-7,10-dimethyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]thiophen-2-yl]iminopropanedinitrile;2-[2-[[4-[[1-(dicyanomethylidene)-5,6-difluoro-3-oxoinden-2-ylidene]amino]-7,10-dimethyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]imino]-5,6-difluoro-3-oxoinden-1-ylidene]propanedinitrile;2-[[4-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-7,10-dimethyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[4-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-7,10-dimethyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]methylidene]-6-(trifluoromethyl)indene-1,2-dione (CID 165013297) is 2-[[4-(dicyanomethylideneamino)-7,10-dimethyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]imino]propanedinitrile;2-[5-[4-[5-(dicyanomethylideneamino)-3-methoxythiophen-2-yl]-7-methyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]-4-methoxythiophen-2-yl]iminopropanedinitrile;2-[5-[4-[5-(dicyanomethylideneamino)thiophen-2-yl]-7,10-dimethyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]thiophen-2-yl]iminopropanedinitrile;2-[2-[[4-[[1-(dicyanomethylidene)-5,6-difluoro-3-oxoinden-2-ylidene]amino]-7,10-dimethyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]imino]-5,6-difluoro-3-oxoinden-1-ylidene]propanedinitrile;2-[[4-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-7,10-dimethyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[4-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-7,10-dimethyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]methylidene]-6-(trifluoromethyl)indene-1,2-dione.

What is the SMILES notation for 2-[[4-(dicyanomethylideneamino)-7,10-dimethyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]imino]propanedinitrile;2-[5-[4-[5-(dicyanomethylideneamino)-3-methoxythiophen-2-yl]-7-methyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]-4-methoxythiophen-2-yl]iminopropanedinitrile;2-[5-[4-[5-(dicyanomethylideneamino)thiophen-2-yl]-7,10-dimethyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]thiophen-2-yl]iminopropanedinitrile;2-[2-[[4-[[1-(dicyanomethylidene)-5,6-difluoro-3-oxoinden-2-ylidene]amino]-7,10-dimethyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]imino]-5,6-difluoro-3-oxoinden-1-ylidene]propanedinitrile;2-[[4-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-7,10-dimethyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[4-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-7,10-dimethyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]methylidene]-6-(trifluoromethyl)indene-1,2-dione?

The canonical SMILES for 2-[[4-(dicyanomethylideneamino)-7,10-dimethyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]imino]propanedinitrile;2-[5-[4-[5-(dicyanomethylideneamino)-3-methoxythiophen-2-yl]-7-methyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]-4-methoxythiophen-2-yl]iminopropanedinitrile;2-[5-[4-[5-(dicyanomethylideneamino)thiophen-2-yl]-7,10-dimethyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]thiophen-2-yl]iminopropanedinitrile;2-[2-[[4-[[1-(dicyanomethylidene)-5,6-difluoro-3-oxoinden-2-ylidene]amino]-7,10-dimethyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]imino]-5,6-difluoro-3-oxoinden-1-ylidene]propanedinitrile;2-[[4-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-7,10-dimethyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[4-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-7,10-dimethyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]methylidene]-6-(trifluoromethyl)indene-1,2-dione is COc1cc(N=C(C#N)C#N)sc1-c1cc2sc3c4sc(-c5sc(N=C(C#N)C#N)cc5OC)cc4n(C)c3c2[nH]1.Cn1c(-c2ccc(N=C(C#N)C#N)s2)cc2sc3c4sc(-c5ccc(N=C(C#N)C#N)s5)cc4n(C)c3c21.Cn1c(/C=C2\C(=O)C(=O)c3cc(C(F)(F)F)ccc32)cc2sc3c4sc(/C=C5\C(=O)C(=O)c6cc(C(F)(F)F)ccc65)cc4n(C)c3c21.Cn1c(C=C2C(=O)c3cc4ccccc4cc3C2=O)cc2sc3c4sc(C=C5C(=O)c6cc7ccccc7cc6C5=O)cc4n(C)c3c21.Cn1c(N=C(C#N)C#N)cc2sc3c4sc(N=C(C#N)C#N)cc4n(C)c3c21.Cn1c(N=C2C(=O)c3cc(F)c(F)cc3C2=C(C#N)C#N)cc2sc3c4sc(N=C5C(=O)c6cc(F)c(F)cc6C5=C(C#N)C#N)cc4n(C)c3c21.

What is the InChIKey of 2-[[4-(dicyanomethylideneamino)-7,10-dimethyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]imino]propanedinitrile;2-[5-[4-[5-(dicyanomethylideneamino)-3-methoxythiophen-2-yl]-7-methyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]-4-methoxythiophen-2-yl]iminopropanedinitrile;2-[5-[4-[5-(dicyanomethylideneamino)thiophen-2-yl]-7,10-dimethyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]thiophen-2-yl]iminopropanedinitrile;2-[2-[[4-[[1-(dicyanomethylidene)-5,6-difluoro-3-oxoinden-2-ylidene]amino]-7,10-dimethyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]imino]-5,6-difluoro-3-oxoinden-1-ylidene]propanedinitrile;2-[[4-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-7,10-dimethyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[4-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-7,10-dimethyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]methylidene]-6-(trifluoromethyl)indene-1,2-dione?

The InChIKey is KAJOGZYAYAENRC-JXAJWHBHSA-N. The full InChI is InChI=1S/C40H22N2O4S2.C36H12F4N8O2S2.C34H16F6N2O4S2.C27H14N8O2S4.C26H12N8S4.C18H8N8S2/c1-41-23(15-29-35(43)25-11-19-7-3-4-8-20(19)12-26(25)36(29)44)16-32-33(41)34-40(48-32)39-31(42(34)2)18-24(47-39)17-30-37(45)27-13-21-9-5-6-10-22(21)14-28(27)38(30)46;1-47-23-7-26(46-30-28(14(11-43)12-44)16-4-20(38)22(40)6-18(16)34(30)50)52-35(23)36-32(47)31-24(51-36)8-25(48(31)2)45-29-27(13(9-41)10-42)15-3-19(37)21(39)5-17(15)33(29)49;1-41-15(9-21-17-5-3-13(33(35,36)37)7-19(17)27(43)29(21)45)10-24-25(41)26-32(48-24)31-23(42(26)2)12-16(47-31)11-22-18-6-4-14(34(38,39)40)8-20(18)28(44)30(22)46;1-35-15-5-19(26-17(37-3)7-21(41-26)33-13(10-30)11-31)39-25(15)27-23(35)22-18(38-27)4-14(34-22)24-16(36-2)6-20(40-24)32-12(8-28)9-29;1-33-15(17-3-5-21(35-17)31-13(9-27)10-28)7-20-23(33)24-26(38-20)25-16(34(24)2)8-19(37-25)18-4-6-22(36-18)32-14(11-29)12-30;1-25-11-3-14(24-10(7-21)8-22)28-17(11)18-16(25)15-12(27-18)4-13(26(15)2)23-9(5-19)6-20/h3-18H,1-2H3;3-8H,1-2H3;3-12H,1-2H3;4-7,34H,1-3H3;3-8H,1-2H3;3-4H,1-2H3/b;;21-9-,22-11-;;;.

What are the key properties of 2-[[4-(dicyanomethylideneamino)-7,10-dimethyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]imino]propanedinitrile;2-[5-[4-[5-(dicyanomethylideneamino)-3-methoxythiophen-2-yl]-7-methyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]-4-methoxythiophen-2-yl]iminopropanedinitrile;2-[5-[4-[5-(dicyanomethylideneamino)thiophen-2-yl]-7,10-dimethyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]thiophen-2-yl]iminopropanedinitrile;2-[2-[[4-[[1-(dicyanomethylidene)-5,6-difluoro-3-oxoinden-2-ylidene]amino]-7,10-dimethyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]imino]-5,6-difluoro-3-oxoinden-1-ylidene]propanedinitrile;2-[[4-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-7,10-dimethyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[4-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-7,10-dimethyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]methylidene]-6-(trifluoromethyl)indene-1,2-dione?

2-[[4-(dicyanomethylideneamino)-7,10-dimethyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]imino]propanedinitrile;2-[5-[4-[5-(dicyanomethylideneamino)-3-methoxythiophen-2-yl]-7-methyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]-4-methoxythiophen-2-yl]iminopropanedinitrile;2-[5-[4-[5-(dicyanomethylideneamino)thiophen-2-yl]-7,10-dimethyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]thiophen-2-yl]iminopropanedinitrile;2-[2-[[4-[[1-(dicyanomethylidene)-5,6-difluoro-3-oxoinden-2-ylidene]amino]-7,10-dimethyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]imino]-5,6-difluoro-3-oxoinden-1-ylidene]propanedinitrile;2-[[4-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-7,10-dimethyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[4-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-7,10-dimethyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]methylidene]-6-(trifluoromethyl)indene-1,2-dione has a molecular weight of 3657.95 g/mol, XLogP of 45.29, 18 rotatable bonds, 1 hydrogen bond donors, and 63 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-(dicyanomethylideneamino)-7,10-dimethyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]imino]propanedinitrile;2-[5-[4-[5-(dicyanomethylideneamino)-3-methoxythiophen-2-yl]-7-methyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]-4-methoxythiophen-2-yl]iminopropanedinitrile;2-[5-[4-[5-(dicyanomethylideneamino)thiophen-2-yl]-7,10-dimethyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]thiophen-2-yl]iminopropanedinitrile;2-[2-[[4-[[1-(dicyanomethylidene)-5,6-difluoro-3-oxoinden-2-ylidene]amino]-7,10-dimethyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]imino]-5,6-difluoro-3-oxoinden-1-ylidene]propanedinitrile;2-[[4-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-7,10-dimethyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[4-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-7,10-dimethyl-3,14-dithia-7,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]methylidene]-6-(trifluoromethyl)indene-1,2-dione is sourced from PubChem (CID 165013297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).