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

C184H102F14N32O14S14 — CID 164987577

IUPAC2-[[11-(dicyanomethylideneamino)-3,10-dimethyl-7,14-dithia-3,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]imino]propanedinitrile;2-[5-[11-[5-(dicyanomethylideneamino)thiophen-2-yl]-3,10-dimethyl-7,14-dithia-3,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]thiophen-2-yl]iminopropanedinitrile;2-[2-[[11-[[1-(dicyanomethylidene)-5,6-difluoro-3-oxoinden-2-ylidene]amino]-3,10-dimethyl-7,14-dithia-3,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]imino]-5,6-difluoro-3-oxoinden-1-ylidene]propanedinitrile;(3Z)-3-[[11-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]-3,10-dimethyl-7,14-dithia-3,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-5,7-difluoroindene-1,2-dione;2-[[11-[(1,3-dioxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalen-2-ylidene)amino]-3,10-dimethyl-7,14-dithia-3,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]imino]-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[11-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-3,10-dimethyl-7,14-dithia-3,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-6-(trifluoromethyl)indene-1,2-dione
SMILESCn1c(-c2ccc(N=C(C#N)C#N)s2)cc2sc3c(sc4cc(-c5ccc(N=C(C#N)C#N)s5)n(C)c43)c21.Cn1c(/C=C2\C(=O)C(=O)c3c(F)cc(F)cc32)cc2sc3c(sc4cc(/C=C5\C(=O)C(=O)c6c(F)cc(F)cc65)n(C)c43)c21.Cn1c(/C=C2\C(=O)C(=O)c3cc(C(F)(F)F)ccc32)cc2sc3c(sc4cc(/C=C5\C(=O)C(=O)c6cc(C(F)(F)F)ccc65)n(C)c43)c21.Cn1c(N=C(C#N)C#N)cc2sc3c(sc4cc(N=C(C#N)C#N)n(C)c43)c21.Cn1c(N=C2C(=O)C3CC4CCCCC4CC3C2=O)cc2sc3c(sc4cc(N=C5C(=O)C6CC7CCCCC7CC6C5=O)n(C)c43)c21.Cn1c(N=C2C(=O)c3cc(F)c(F)cc3C2=C(C#N)C#N)cc2sc3c(sc4cc(N=C5C(=O)c6cc(F)c(F)cc6C5=C(C#N)C#N)n(C)c43)c21
InChIInChI=1S/C38H40N4O4S2.C36H12F4N8O2S2.C34H16F6N2O4S2.C32H14F4N2O4S2.C26H12N8S4.C18H8N8S2/c1-41-27(39-29-33(43)21-11-17-7-3-4-8-18(17)12-22(21)34(29)44)15-25-31(41)37-38(47-25)32-26(48-37)16-28(42(32)2)40-30-35(45)23-13-19-9-5-6-10-20(19)14-24(23)36(30)46;1-47-25(45-29-27(13(9-41)10-42)15-3-19(37)21(39)5-17(15)33(29)49)7-23-31(47)35-36(51-23)32-24(52-35)8-26(48(32)2)46-30-28(14(11-43)12-44)16-4-20(38)22(40)6-18(16)34(30)50;1-41-15(9-21-17-5-3-13(33(35,36)37)7-19(17)27(43)29(21)45)11-23-25(41)31-32(47-23)26-24(48-31)12-16(42(26)2)10-22-18-6-4-14(34(38,39)40)8-20(18)28(44)30(22)46;1-37-13(7-17-15-3-11(33)5-19(35)23(15)29(41)27(17)39)9-21-25(37)31-32(43-21)26-22(44-31)10-14(38(26)2)8-18-16-4-12(34)6-20(36)24(16)30(42)28(18)40;1-33-15(17-3-5-21(35-17)31-13(9-27)10-28)7-19-23(33)25-26(37-19)24-20(38-25)8-16(34(24)2)18-4-6-22(36-18)32-14(11-29)12-30;1-25-13(23-9(5-19)6-20)3-11-15(25)17-18(27-11)16-12(28-17)4-14(26(16)2)24-10(7-21)8-22/h15-24H,3-14H2,1-2H3;3-8H,1-2H3;3-12H,1-2H3;3-10H,1-2H3;3-8H,1-2H3;3-4H,1-2H3/b;;21-9-,22-10-;17-7-,18-8-;;
InChIKeyAEMYIJQJTREKBJ-RSOKSSIMSA-N
MW3699.96 g/mol
LogP43.64
Rot. Bonds14

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

2-[[11-(dicyanomethylideneamino)-3,10-dimethyl-7,14-dithia-3,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]imino]propanedinitrile;2-[5-[11-[5-(dicyanomethylideneamino)thiophen-2-yl]-3,10-dimethyl-7,14-dithia-3,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]thiophen-2-yl]iminopropanedinitrile;2-[2-[[11-[[1-(dicyanomethylidene)-5,6-difluoro-3-oxoinden-2-ylidene]amino]-3,10-dimethyl-7,14-dithia-3,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]imino]-5,6-difluoro-3-oxoinden-1-ylidene]propanedinitrile;(3Z)-3-[[11-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]-3,10-dimethyl-7,14-dithia-3,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-5,7-difluoroindene-1,2-dione;2-[[11-[(1,3-dioxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalen-2-ylidene)amino]-3,10-dimethyl-7,14-dithia-3,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]imino]-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[11-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-3,10-dimethyl-7,14-dithia-3,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-6-(trifluoromethyl)indene-1,2-dione (PubChem CID 164987577) has the molecular formula C184H102F14N32O14S14 and a molecular weight of 3699.96 g/mol. Its IUPAC name is 2-[[11-(dicyanomethylideneamino)-3,10-dimethyl-7,14-dithia-3,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]imino]propanedinitrile;2-[5-[11-[5-(dicyanomethylideneamino)thiophen-2-yl]-3,10-dimethyl-7,14-dithia-3,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]thiophen-2-yl]iminopropanedinitrile;2-[2-[[11-[[1-(dicyanomethylidene)-5,6-difluoro-3-oxoinden-2-ylidene]amino]-3,10-dimethyl-7,14-dithia-3,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]imino]-5,6-difluoro-3-oxoinden-1-ylidene]propanedinitrile;(3Z)-3-[[11-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]-3,10-dimethyl-7,14-dithia-3,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-5,7-difluoroindene-1,2-dione;2-[[11-[(1,3-dioxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalen-2-ylidene)amino]-3,10-dimethyl-7,14-dithia-3,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]imino]-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[11-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-3,10-dimethyl-7,14-dithia-3,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-6-(trifluoromethyl)indene-1,2-dione.

Molecular Properties

Compound Name2-[[11-(dicyanomethylideneamino)-3,10-dimethyl-7,14-dithia-3,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]imino]propanedinitrile;2-[5-[11-[5-(dicyanomethylideneamino)thiophen-2-yl]-3,10-dimethyl-7,14-dithia-3,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]thiophen-2-yl]iminopropanedinitrile;2-[2-[[11-[[1-(dicyanomethylidene)-5,6-difluoro-3-oxoinden-2-ylidene]amino]-3,10-dimethyl-7,14-dithia-3,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]imino]-5,6-difluoro-3-oxoinden-1-ylidene]propanedinitrile;(3Z)-3-[[11-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]-3,10-dimethyl-7,14-dithia-3,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-5,7-difluoroindene-1,2-dione;2-[[11-[(1,3-dioxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalen-2-ylidene)amino]-3,10-dimethyl-7,14-dithia-3,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]imino]-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[11-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-3,10-dimethyl-7,14-dithia-3,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-6-(trifluoromethyl)indene-1,2-dione
PubChem CID164987577
Molecular FormulaC184H102F14N32O14S14
Molecular Weight3699.96 g/mol
Exact Mass3696.41
IUPAC Name2-[[11-(dicyanomethylideneamino)-3,10-dimethyl-7,14-dithia-3,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]imino]propanedinitrile;2-[5-[11-[5-(dicyanomethylideneamino)thiophen-2-yl]-3,10-dimethyl-7,14-dithia-3,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]thiophen-2-yl]iminopropanedinitrile;2-[2-[[11-[[1-(dicyanomethylidene)-5,6-difluoro-3-oxoinden-2-ylidene]amino]-3,10-dimethyl-7,14-dithia-3,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]imino]-5,6-difluoro-3-oxoinden-1-ylidene]propanedinitrile;(3Z)-3-[[11-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]-3,10-dimethyl-7,14-dithia-3,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-5,7-difluoroindene-1,2-dione;2-[[11-[(1,3-dioxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalen-2-ylidene)amino]-3,10-dimethyl-7,14-dithia-3,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]imino]-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[11-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-3,10-dimethyl-7,14-dithia-3,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-6-(trifluoromethyl)indene-1,2-dione
SMILESCn1c(-c2ccc(N=C(C#N)C#N)s2)cc2sc3c(sc4cc(-c5ccc(N=C(C#N)C#N)s5)n(C)c43)c21.Cn1c(/C=C2\C(=O)C(=O)c3c(F)cc(F)cc32)cc2sc3c(sc4cc(/C=C5\C(=O)C(=O)c6c(F)cc(F)cc65)n(C)c43)c21.Cn1c(/C=C2\C(=O)C(=O)c3cc(C(F)(F)F)ccc32)cc2sc3c(sc4cc(/C=C5\C(=O)C(=O)c6cc(C(F)(F)F)ccc65)n(C)c43)c21.Cn1c(N=C(C#N)C#N)cc2sc3c(sc4cc(N=C(C#N)C#N)n(C)c43)c21.Cn1c(N=C2C(=O)C3CC4CCCCC4CC3C2=O)cc2sc3c(sc4cc(N=C5C(=O)C6CC7CCCCC7CC6C5=O)n(C)c43)c21.Cn1c(N=C2C(=O)c3cc(F)c(F)cc3C2=C(C#N)C#N)cc2sc3c(sc4cc(N=C5C(=O)c6cc(F)c(F)cc6C5=C(C#N)C#N)n(C)c43)c21
InChIInChI=1S/C38H40N4O4S2.C36H12F4N8O2S2.C34H16F6N2O4S2.C32H14F4N2O4S2.C26H12N8S4.C18H8N8S2/c1-41-27(39-29-33(43)21-11-17-7-3-4-8-18(17)12-22(21)34(29)44)15-25-31(41)37-38(47-25)32-26(48-37)16-28(42(32)2)40-30-35(45)23-13-19-9-5-6-10-20(19)14-24(23)36(30)46;1-47-25(45-29-27(13(9-41)10-42)15-3-19(37)21(39)5-17(15)33(29)49)7-23-31(47)35-36(51-23)32-24(52-35)8-26(48(32)2)46-30-28(14(11-43)12-44)16-4-20(38)22(40)6-18(16)34(30)50;1-41-15(9-21-17-5-3-13(33(35,36)37)7-19(17)27(43)29(21)45)11-23-25(41)31-32(47-23)26-24(48-31)12-16(42(26)2)10-22-18-6-4-14(34(38,39)40)8-20(18)28(44)30(22)46;1-37-13(7-17-15-3-11(33)5-19(35)23(15)29(41)27(17)39)9-21-25(37)31-32(43-21)26-22(44-31)10-14(38(26)2)8-18-16-4-12(34)6-20(36)24(16)30(42)28(18)40;1-33-15(17-3-5-21(35-17)31-13(9-27)10-28)7-19-23(33)25-26(37-19)24-20(38-25)8-16(34(24)2)18-4-6-22(36-18)32-14(11-29)12-30;1-25-13(23-9(5-19)6-20)3-11-15(25)17-18(27-11)16-12(28-17)4-14(26(16)2)24-10(7-21)8-22/h15-24H,3-14H2,1-2H3;3-8H,1-2H3;3-12H,1-2H3;3-10H,1-2H3;3-8H,1-2H3;3-4H,1-2H3/b;;21-9-,22-10-;17-7-,18-8-;;
InChIKeyAEMYIJQJTREKBJ-RSOKSSIMSA-N
XLogP43.64
TPSA682.50 Ų
H-Bond Donors
H-Bond Acceptors60
Rotatable Bonds14
Heavy Atoms258
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003699.96
LogP ≤ 543.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1060

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

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What is the IUPAC name of 2-[[11-(dicyanomethylideneamino)-3,10-dimethyl-7,14-dithia-3,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]imino]propanedinitrile;2-[5-[11-[5-(dicyanomethylideneamino)thiophen-2-yl]-3,10-dimethyl-7,14-dithia-3,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]thiophen-2-yl]iminopropanedinitrile;2-[2-[[11-[[1-(dicyanomethylidene)-5,6-difluoro-3-oxoinden-2-ylidene]amino]-3,10-dimethyl-7,14-dithia-3,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]imino]-5,6-difluoro-3-oxoinden-1-ylidene]propanedinitrile;(3Z)-3-[[11-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]-3,10-dimethyl-7,14-dithia-3,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-5,7-difluoroindene-1,2-dione;2-[[11-[(1,3-dioxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalen-2-ylidene)amino]-3,10-dimethyl-7,14-dithia-3,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]imino]-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[11-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-3,10-dimethyl-7,14-dithia-3,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-6-(trifluoromethyl)indene-1,2-dione?
The IUPAC name of 2-[[11-(dicyanomethylideneamino)-3,10-dimethyl-7,14-dithia-3,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]imino]propanedinitrile;2-[5-[11-[5-(dicyanomethylideneamino)thiophen-2-yl]-3,10-dimethyl-7,14-dithia-3,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]thiophen-2-yl]iminopropanedinitrile;2-[2-[[11-[[1-(dicyanomethylidene)-5,6-difluoro-3-oxoinden-2-ylidene]amino]-3,10-dimethyl-7,14-dithia-3,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]imino]-5,6-difluoro-3-oxoinden-1-ylidene]propanedinitrile;(3Z)-3-[[11-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]-3,10-dimethyl-7,14-dithia-3,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-5,7-difluoroindene-1,2-dione;2-[[11-[(1,3-dioxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalen-2-ylidene)amino]-3,10-dimethyl-7,14-dithia-3,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]imino]-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[11-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-3,10-dimethyl-7,14-dithia-3,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-6-(trifluoromethyl)indene-1,2-dione (CID 164987577) is 2-[[11-(dicyanomethylideneamino)-3,10-dimethyl-7,14-dithia-3,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]imino]propanedinitrile;2-[5-[11-[5-(dicyanomethylideneamino)thiophen-2-yl]-3,10-dimethyl-7,14-dithia-3,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]thiophen-2-yl]iminopropanedinitrile;2-[2-[[11-[[1-(dicyanomethylidene)-5,6-difluoro-3-oxoinden-2-ylidene]amino]-3,10-dimethyl-7,14-dithia-3,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]imino]-5,6-difluoro-3-oxoinden-1-ylidene]propanedinitrile;(3Z)-3-[[11-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]-3,10-dimethyl-7,14-dithia-3,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-5,7-difluoroindene-1,2-dione;2-[[11-[(1,3-dioxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalen-2-ylidene)amino]-3,10-dimethyl-7,14-dithia-3,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]imino]-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[11-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-3,10-dimethyl-7,14-dithia-3,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-6-(trifluoromethyl)indene-1,2-dione.
What is the SMILES notation for 2-[[11-(dicyanomethylideneamino)-3,10-dimethyl-7,14-dithia-3,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]imino]propanedinitrile;2-[5-[11-[5-(dicyanomethylideneamino)thiophen-2-yl]-3,10-dimethyl-7,14-dithia-3,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]thiophen-2-yl]iminopropanedinitrile;2-[2-[[11-[[1-(dicyanomethylidene)-5,6-difluoro-3-oxoinden-2-ylidene]amino]-3,10-dimethyl-7,14-dithia-3,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]imino]-5,6-difluoro-3-oxoinden-1-ylidene]propanedinitrile;(3Z)-3-[[11-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]-3,10-dimethyl-7,14-dithia-3,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-5,7-difluoroindene-1,2-dione;2-[[11-[(1,3-dioxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalen-2-ylidene)amino]-3,10-dimethyl-7,14-dithia-3,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]imino]-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[11-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-3,10-dimethyl-7,14-dithia-3,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-6-(trifluoromethyl)indene-1,2-dione?
The canonical SMILES for 2-[[11-(dicyanomethylideneamino)-3,10-dimethyl-7,14-dithia-3,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]imino]propanedinitrile;2-[5-[11-[5-(dicyanomethylideneamino)thiophen-2-yl]-3,10-dimethyl-7,14-dithia-3,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]thiophen-2-yl]iminopropanedinitrile;2-[2-[[11-[[1-(dicyanomethylidene)-5,6-difluoro-3-oxoinden-2-ylidene]amino]-3,10-dimethyl-7,14-dithia-3,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]imino]-5,6-difluoro-3-oxoinden-1-ylidene]propanedinitrile;(3Z)-3-[[11-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]-3,10-dimethyl-7,14-dithia-3,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-5,7-difluoroindene-1,2-dione;2-[[11-[(1,3-dioxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalen-2-ylidene)amino]-3,10-dimethyl-7,14-dithia-3,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]imino]-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[11-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-3,10-dimethyl-7,14-dithia-3,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-6-(trifluoromethyl)indene-1,2-dione is Cn1c(-c2ccc(N=C(C#N)C#N)s2)cc2sc3c(sc4cc(-c5ccc(N=C(C#N)C#N)s5)n(C)c43)c21.Cn1c(/C=C2\C(=O)C(=O)c3c(F)cc(F)cc32)cc2sc3c(sc4cc(/C=C5\C(=O)C(=O)c6c(F)cc(F)cc65)n(C)c43)c21.Cn1c(/C=C2\C(=O)C(=O)c3cc(C(F)(F)F)ccc32)cc2sc3c(sc4cc(/C=C5\C(=O)C(=O)c6cc(C(F)(F)F)ccc65)n(C)c43)c21.Cn1c(N=C(C#N)C#N)cc2sc3c(sc4cc(N=C(C#N)C#N)n(C)c43)c21.Cn1c(N=C2C(=O)C3CC4CCCCC4CC3C2=O)cc2sc3c(sc4cc(N=C5C(=O)C6CC7CCCCC7CC6C5=O)n(C)c43)c21.Cn1c(N=C2C(=O)c3cc(F)c(F)cc3C2=C(C#N)C#N)cc2sc3c(sc4cc(N=C5C(=O)c6cc(F)c(F)cc6C5=C(C#N)C#N)n(C)c43)c21.
What is the InChIKey of 2-[[11-(dicyanomethylideneamino)-3,10-dimethyl-7,14-dithia-3,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]imino]propanedinitrile;2-[5-[11-[5-(dicyanomethylideneamino)thiophen-2-yl]-3,10-dimethyl-7,14-dithia-3,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]thiophen-2-yl]iminopropanedinitrile;2-[2-[[11-[[1-(dicyanomethylidene)-5,6-difluoro-3-oxoinden-2-ylidene]amino]-3,10-dimethyl-7,14-dithia-3,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]imino]-5,6-difluoro-3-oxoinden-1-ylidene]propanedinitrile;(3Z)-3-[[11-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]-3,10-dimethyl-7,14-dithia-3,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-5,7-difluoroindene-1,2-dione;2-[[11-[(1,3-dioxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalen-2-ylidene)amino]-3,10-dimethyl-7,14-dithia-3,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]imino]-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[11-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-3,10-dimethyl-7,14-dithia-3,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-6-(trifluoromethyl)indene-1,2-dione?
The InChIKey is AEMYIJQJTREKBJ-RSOKSSIMSA-N. The full InChI is InChI=1S/C38H40N4O4S2.C36H12F4N8O2S2.C34H16F6N2O4S2.C32H14F4N2O4S2.C26H12N8S4.C18H8N8S2/c1-41-27(39-29-33(43)21-11-17-7-3-4-8-18(17)12-22(21)34(29)44)15-25-31(41)37-38(47-25)32-26(48-37)16-28(42(32)2)40-30-35(45)23-13-19-9-5-6-10-20(19)14-24(23)36(30)46;1-47-25(45-29-27(13(9-41)10-42)15-3-19(37)21(39)5-17(15)33(29)49)7-23-31(47)35-36(51-23)32-24(52-35)8-26(48(32)2)46-30-28(14(11-43)12-44)16-4-20(38)22(40)6-18(16)34(30)50;1-41-15(9-21-17-5-3-13(33(35,36)37)7-19(17)27(43)29(21)45)11-23-25(41)31-32(47-23)26-24(48-31)12-16(42(26)2)10-22-18-6-4-14(34(38,39)40)8-20(18)28(44)30(22)46;1-37-13(7-17-15-3-11(33)5-19(35)23(15)29(41)27(17)39)9-21-25(37)31-32(43-21)26-22(44-31)10-14(38(26)2)8-18-16-4-12(34)6-20(36)24(16)30(42)28(18)40;1-33-15(17-3-5-21(35-17)31-13(9-27)10-28)7-19-23(33)25-26(37-19)24-20(38-25)8-16(34(24)2)18-4-6-22(36-18)32-14(11-29)12-30;1-25-13(23-9(5-19)6-20)3-11-15(25)17-18(27-11)16-12(28-17)4-14(26(16)2)24-10(7-21)8-22/h15-24H,3-14H2,1-2H3;3-8H,1-2H3;3-12H,1-2H3;3-10H,1-2H3;3-8H,1-2H3;3-4H,1-2H3/b;;21-9-,22-10-;17-7-,18-8-;;.
What are the key properties of 2-[[11-(dicyanomethylideneamino)-3,10-dimethyl-7,14-dithia-3,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]imino]propanedinitrile;2-[5-[11-[5-(dicyanomethylideneamino)thiophen-2-yl]-3,10-dimethyl-7,14-dithia-3,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]thiophen-2-yl]iminopropanedinitrile;2-[2-[[11-[[1-(dicyanomethylidene)-5,6-difluoro-3-oxoinden-2-ylidene]amino]-3,10-dimethyl-7,14-dithia-3,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]imino]-5,6-difluoro-3-oxoinden-1-ylidene]propanedinitrile;(3Z)-3-[[11-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]-3,10-dimethyl-7,14-dithia-3,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-5,7-difluoroindene-1,2-dione;2-[[11-[(1,3-dioxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalen-2-ylidene)amino]-3,10-dimethyl-7,14-dithia-3,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]imino]-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[11-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-3,10-dimethyl-7,14-dithia-3,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-6-(trifluoromethyl)indene-1,2-dione?
2-[[11-(dicyanomethylideneamino)-3,10-dimethyl-7,14-dithia-3,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]imino]propanedinitrile;2-[5-[11-[5-(dicyanomethylideneamino)thiophen-2-yl]-3,10-dimethyl-7,14-dithia-3,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]thiophen-2-yl]iminopropanedinitrile;2-[2-[[11-[[1-(dicyanomethylidene)-5,6-difluoro-3-oxoinden-2-ylidene]amino]-3,10-dimethyl-7,14-dithia-3,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]imino]-5,6-difluoro-3-oxoinden-1-ylidene]propanedinitrile;(3Z)-3-[[11-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]-3,10-dimethyl-7,14-dithia-3,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-5,7-difluoroindene-1,2-dione;2-[[11-[(1,3-dioxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalen-2-ylidene)amino]-3,10-dimethyl-7,14-dithia-3,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]imino]-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[11-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-3,10-dimethyl-7,14-dithia-3,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-6-(trifluoromethyl)indene-1,2-dione has a molecular weight of 3699.96 g/mol, XLogP of 43.64, 14 rotatable bonds, 0 hydrogen bond donors, and 60 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[11-(dicyanomethylideneamino)-3,10-dimethyl-7,14-dithia-3,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]imino]propanedinitrile;2-[5-[11-[5-(dicyanomethylideneamino)thiophen-2-yl]-3,10-dimethyl-7,14-dithia-3,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]thiophen-2-yl]iminopropanedinitrile;2-[2-[[11-[[1-(dicyanomethylidene)-5,6-difluoro-3-oxoinden-2-ylidene]amino]-3,10-dimethyl-7,14-dithia-3,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]imino]-5,6-difluoro-3-oxoinden-1-ylidene]propanedinitrile;(3Z)-3-[[11-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]-3,10-dimethyl-7,14-dithia-3,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-5,7-difluoroindene-1,2-dione;2-[[11-[(1,3-dioxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalen-2-ylidene)amino]-3,10-dimethyl-7,14-dithia-3,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]imino]-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[11-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-3,10-dimethyl-7,14-dithia-3,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-6-(trifluoromethyl)indene-1,2-dione is sourced from PubChem (CID 164987577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).