2-[5-[16-[5-(dicyanomethylideneamino)-3-methoxythiophen-2-yl]-3,13-dimethyl-7,10,17,20-tetrathia-3,13-diazahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]-4-methoxythiophen-2-yl]iminopropanedinitrile;2-[5-[16-[5-(dicyanomethylideneamino)-3-propoxythiophen-2-yl]-3,13-dimethyl-7,10,17,20-tetrathia-3,13-diazahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]-4-propoxythiophen-2-yl]iminopropanedinitrile;2-[5-[16-[5-(dicyanomethylideneamino)thiophen-2-yl]-3,13-dimethyl-7,10,17,20-tetrathia-3,13-diazahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]thiophen-2-yl]iminopropanedinitrile;2-[2-[[16-[[1-(dicyanomethylidene)-3-oxoinden-2-ylidene]amino]-3,13-dimethyl-7,10,17,20-tetrathia-3,13-diazahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]imino]-3-oxoinden-1-ylidene]propanedinitrile;2-[[16-[(1,3-dioxoinden-2-ylidene)methyl]-3,13-dimethyl-7,10,17,20-tetrathia-3,13-diazahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]methylidene]indene-1,3-dione;(3Z)-3-[[16-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]-3,13-dimethyl-7,10,17,20-tetrathia-3,13-diazahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]methylidene]indene-1,2-dione;ethane;tris(1,1,1-trifluoroethane)

C222H131F9N36O14S30 — CID 164955620

IUPAC2-[5-[16-[5-(dicyanomethylideneamino)-3-methoxythiophen-2-yl]-3,13-dimethyl-7,10,17,20-tetrathia-3,13-diazahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]-4-methoxythiophen-2-yl]iminopropanedinitrile;2-[5-[16-[5-(dicyanomethylideneamino)-3-propoxythiophen-2-yl]-3,13-dimethyl-7,10,17,20-tetrathia-3,13-diazahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]-4-propoxythiophen-2-yl]iminopropanedinitrile;2-[5-[16-[5-(dicyanomethylideneamino)thiophen-2-yl]-3,13-dimethyl-7,10,17,20-tetrathia-3,13-diazahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]thiophen-2-yl]iminopropanedinitrile;2-[2-[[16-[[1-(dicyanomethylidene)-3-oxoinden-2-ylidene]amino]-3,13-dimethyl-7,10,17,20-tetrathia-3,13-diazahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]imino]-3-oxoinden-1-ylidene]propanedinitrile;2-[[16-[(1,3-dioxoinden-2-ylidene)methyl]-3,13-dimethyl-7,10,17,20-tetrathia-3,13-diazahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]methylidene]indene-1,3-dione;(3Z)-3-[[16-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]-3,13-dimethyl-7,10,17,20-tetrathia-3,13-diazahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]methylidene]indene-1,2-dione;ethane;tris(1,1,1-trifluoroethane)
SMILESCC.CC.CC.CC(F)(F)F.CC(F)(F)F.CC(F)(F)F.CCCOc1cc(N=C(C#N)C#N)sc1-c1cc2c(s1)c1sc3c(sc4c5sc(-c6sc(N=C(C#N)C#N)cc6OCCC)cc5n(C)c43)c1n2C.COc1cc(N=C(C#N)C#N)sc1-c1cc2c(s1)c1sc3c(sc4c5sc(-c6sc(N=C(C#N)C#N)cc6OC)cc5n(C)c43)c1n2C.Cn1c2cc(-c3ccc(N=C(C#N)C#N)s3)sc2c2sc3c(sc4c5sc(-c6ccc(N=C(C#N)C#N)s6)cc5n(C)c43)c21.Cn1c2cc(/C=C3\C(=O)C(=O)c4ccccc43)sc2c2sc3c(sc4c5sc(/C=C6\C(=O)C(=O)c7ccccc76)cc5n(C)c43)c21.Cn1c2cc(C=C3C(=O)c4ccccc4C3=O)sc2c2sc3c(sc4c5sc(C=C6C(=O)c7ccccc7C6=O)cc5n(C)c43)c21.Cn1c2cc(N=C3C(=O)c4ccccc4C3=C(C#N)C#N)sc2c2sc3c(sc4c5sc(N=C6C(=O)c7ccccc7C6=C(C#N)C#N)cc5n(C)c43)c21
InChIInChI=1S/C40H16N8O2S4.C36H24N8O2S6.2C36H18N2O4S4.C32H16N8O2S6.C30H12N8S6.3C2H3F3.3C2H6/c1-47-23-11-25(45-29-27(17(13-41)14-42)19-7-3-5-9-21(19)33(29)49)51-35(23)37-31(47)39-40(53-37)32-38(54-39)36-24(48(32)2)12-26(52-36)46-30-28(18(15-43)16-44)20-8-4-6-10-22(20)34(30)50;1-5-7-45-21-11-25(41-17(13-37)14-38)49-31(21)23-9-19-29(47-23)33-27(43(19)3)35-36(51-33)28-34(52-35)30-20(44(28)4)10-24(48-30)32-22(46-8-6-2)12-26(50-32)42-18(15-39)16-40;1-37-23-13-15(11-21-17-7-3-5-9-19(17)27(39)29(21)41)43-31(23)33-25(37)35-36(45-33)26-34(46-35)32-24(38(26)2)14-16(44-32)12-22-18-8-4-6-10-20(18)28(40)30(22)42;1-37-23-13-15(11-21-27(39)17-7-3-4-8-18(17)28(21)40)43-31(23)33-25(37)35-36(45-33)26-34(46-35)32-24(38(26)2)14-16(44-32)12-22-29(41)19-9-5-6-10-20(19)30(22)42;1-39-15-5-19(27-17(41-3)7-21(45-27)37-13(9-33)10-34)43-25(15)29-23(39)31-32(47-29)24-30(48-31)26-16(40(24)2)6-20(44-26)28-18(42-4)8-22(46-28)38-14(11-35)12-36;1-37-15-7-19(17-3-5-21(39-17)35-13(9-31)10-32)41-25(15)27-23(37)29-30(43-27)24-28(44-29)26-16(38(24)2)8-20(42-26)18-4-6-22(40-18)36-14(11-33)12-34;3*1-2(3,4)5;3*1-2/h3-12H,1-2H3;9-12H,5-8H2,1-4H3;2*3-14H,1-2H3;5-8H,1-4H3;3-8H,1-2H3;3*1H3;3*1-2H3/b;;21-11-,22-12-;;;;;;;;;
InChIKeyBDASSIQKTSADRF-OQCXJPJFSA-N
MW4659.72 g/mol
LogP67.80
Rot. Bonds26

About 2-[5-[16-[5-(dicyanomethylideneamino)-3-methoxythiophen-2-yl]-3,13-dimethyl-7,10,17,20-tetrathia-3,13-diazahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]-4-methoxythiophen-2-yl]iminopropanedinitrile;2-[5-[16-[5-(dicyanomethylideneamino)-3-propoxythiophen-2-yl]-3,13-dimethyl-7,10,17,20-tetrathia-3,13-diazahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]-4-propoxythiophen-2-yl]iminopropanedinitrile;2-[5-[16-[5-(dicyanomethylideneamino)thiophen-2-yl]-3,13-dimethyl-7,10,17,20-tetrathia-3,13-diazahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]thiophen-2-yl]iminopropanedinitrile;2-[2-[[16-[[1-(dicyanomethylidene)-3-oxoinden-2-ylidene]amino]-3,13-dimethyl-7,10,17,20-tetrathia-3,13-diazahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]imino]-3-oxoinden-1-ylidene]propanedinitrile;2-[[16-[(1,3-dioxoinden-2-ylidene)methyl]-3,13-dimethyl-7,10,17,20-tetrathia-3,13-diazahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]methylidene]indene-1,3-dione;(3Z)-3-[[16-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]-3,13-dimethyl-7,10,17,20-tetrathia-3,13-diazahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]methylidene]indene-1,2-dione;ethane;tris(1,1,1-trifluoroethane)

2-[5-[16-[5-(dicyanomethylideneamino)-3-methoxythiophen-2-yl]-3,13-dimethyl-7,10,17,20-tetrathia-3,13-diazahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]-4-methoxythiophen-2-yl]iminopropanedinitrile;2-[5-[16-[5-(dicyanomethylideneamino)-3-propoxythiophen-2-yl]-3,13-dimethyl-7,10,17,20-tetrathia-3,13-diazahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]-4-propoxythiophen-2-yl]iminopropanedinitrile;2-[5-[16-[5-(dicyanomethylideneamino)thiophen-2-yl]-3,13-dimethyl-7,10,17,20-tetrathia-3,13-diazahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]thiophen-2-yl]iminopropanedinitrile;2-[2-[[16-[[1-(dicyanomethylidene)-3-oxoinden-2-ylidene]amino]-3,13-dimethyl-7,10,17,20-tetrathia-3,13-diazahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]imino]-3-oxoinden-1-ylidene]propanedinitrile;2-[[16-[(1,3-dioxoinden-2-ylidene)methyl]-3,13-dimethyl-7,10,17,20-tetrathia-3,13-diazahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]methylidene]indene-1,3-dione;(3Z)-3-[[16-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]-3,13-dimethyl-7,10,17,20-tetrathia-3,13-diazahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]methylidene]indene-1,2-dione;ethane;tris(1,1,1-trifluoroethane) (PubChem CID 164955620) has the molecular formula C222H131F9N36O14S30 and a molecular weight of 4659.72 g/mol. Its IUPAC name is 2-[5-[16-[5-(dicyanomethylideneamino)-3-methoxythiophen-2-yl]-3,13-dimethyl-7,10,17,20-tetrathia-3,13-diazahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]-4-methoxythiophen-2-yl]iminopropanedinitrile;2-[5-[16-[5-(dicyanomethylideneamino)-3-propoxythiophen-2-yl]-3,13-dimethyl-7,10,17,20-tetrathia-3,13-diazahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]-4-propoxythiophen-2-yl]iminopropanedinitrile;2-[5-[16-[5-(dicyanomethylideneamino)thiophen-2-yl]-3,13-dimethyl-7,10,17,20-tetrathia-3,13-diazahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]thiophen-2-yl]iminopropanedinitrile;2-[2-[[16-[[1-(dicyanomethylidene)-3-oxoinden-2-ylidene]amino]-3,13-dimethyl-7,10,17,20-tetrathia-3,13-diazahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]imino]-3-oxoinden-1-ylidene]propanedinitrile;2-[[16-[(1,3-dioxoinden-2-ylidene)methyl]-3,13-dimethyl-7,10,17,20-tetrathia-3,13-diazahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]methylidene]indene-1,3-dione;(3Z)-3-[[16-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]-3,13-dimethyl-7,10,17,20-tetrathia-3,13-diazahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]methylidene]indene-1,2-dione;ethane;tris(1,1,1-trifluoroethane).

Molecular Properties

Compound Name2-[5-[16-[5-(dicyanomethylideneamino)-3-methoxythiophen-2-yl]-3,13-dimethyl-7,10,17,20-tetrathia-3,13-diazahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]-4-methoxythiophen-2-yl]iminopropanedinitrile;2-[5-[16-[5-(dicyanomethylideneamino)-3-propoxythiophen-2-yl]-3,13-dimethyl-7,10,17,20-tetrathia-3,13-diazahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]-4-propoxythiophen-2-yl]iminopropanedinitrile;2-[5-[16-[5-(dicyanomethylideneamino)thiophen-2-yl]-3,13-dimethyl-7,10,17,20-tetrathia-3,13-diazahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]thiophen-2-yl]iminopropanedinitrile;2-[2-[[16-[[1-(dicyanomethylidene)-3-oxoinden-2-ylidene]amino]-3,13-dimethyl-7,10,17,20-tetrathia-3,13-diazahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]imino]-3-oxoinden-1-ylidene]propanedinitrile;2-[[16-[(1,3-dioxoinden-2-ylidene)methyl]-3,13-dimethyl-7,10,17,20-tetrathia-3,13-diazahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]methylidene]indene-1,3-dione;(3Z)-3-[[16-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]-3,13-dimethyl-7,10,17,20-tetrathia-3,13-diazahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]methylidene]indene-1,2-dione;ethane;tris(1,1,1-trifluoroethane)
PubChem CID164955620
Molecular FormulaC222H131F9N36O14S30
Molecular Weight4659.72 g/mol
Exact Mass4654.21
IUPAC Name2-[5-[16-[5-(dicyanomethylideneamino)-3-methoxythiophen-2-yl]-3,13-dimethyl-7,10,17,20-tetrathia-3,13-diazahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]-4-methoxythiophen-2-yl]iminopropanedinitrile;2-[5-[16-[5-(dicyanomethylideneamino)-3-propoxythiophen-2-yl]-3,13-dimethyl-7,10,17,20-tetrathia-3,13-diazahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]-4-propoxythiophen-2-yl]iminopropanedinitrile;2-[5-[16-[5-(dicyanomethylideneamino)thiophen-2-yl]-3,13-dimethyl-7,10,17,20-tetrathia-3,13-diazahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]thiophen-2-yl]iminopropanedinitrile;2-[2-[[16-[[1-(dicyanomethylidene)-3-oxoinden-2-ylidene]amino]-3,13-dimethyl-7,10,17,20-tetrathia-3,13-diazahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]imino]-3-oxoinden-1-ylidene]propanedinitrile;2-[[16-[(1,3-dioxoinden-2-ylidene)methyl]-3,13-dimethyl-7,10,17,20-tetrathia-3,13-diazahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]methylidene]indene-1,3-dione;(3Z)-3-[[16-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]-3,13-dimethyl-7,10,17,20-tetrathia-3,13-diazahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]methylidene]indene-1,2-dione;ethane;tris(1,1,1-trifluoroethane)
SMILESCC.CC.CC.CC(F)(F)F.CC(F)(F)F.CC(F)(F)F.CCCOc1cc(N=C(C#N)C#N)sc1-c1cc2c(s1)c1sc3c(sc4c5sc(-c6sc(N=C(C#N)C#N)cc6OCCC)cc5n(C)c43)c1n2C.COc1cc(N=C(C#N)C#N)sc1-c1cc2c(s1)c1sc3c(sc4c5sc(-c6sc(N=C(C#N)C#N)cc6OC)cc5n(C)c43)c1n2C.Cn1c2cc(-c3ccc(N=C(C#N)C#N)s3)sc2c2sc3c(sc4c5sc(-c6ccc(N=C(C#N)C#N)s6)cc5n(C)c43)c21.Cn1c2cc(/C=C3\C(=O)C(=O)c4ccccc43)sc2c2sc3c(sc4c5sc(/C=C6\C(=O)C(=O)c7ccccc76)cc5n(C)c43)c21.Cn1c2cc(C=C3C(=O)c4ccccc4C3=O)sc2c2sc3c(sc4c5sc(C=C6C(=O)c7ccccc7C6=O)cc5n(C)c43)c21.Cn1c2cc(N=C3C(=O)c4ccccc4C3=C(C#N)C#N)sc2c2sc3c(sc4c5sc(N=C6C(=O)c7ccccc7C6=C(C#N)C#N)cc5n(C)c43)c21
InChIInChI=1S/C40H16N8O2S4.C36H24N8O2S6.2C36H18N2O4S4.C32H16N8O2S6.C30H12N8S6.3C2H3F3.3C2H6/c1-47-23-11-25(45-29-27(17(13-41)14-42)19-7-3-5-9-21(19)33(29)49)51-35(23)37-31(47)39-40(53-37)32-38(54-39)36-24(48(32)2)12-26(52-36)46-30-28(18(15-43)16-44)20-8-4-6-10-22(20)34(30)50;1-5-7-45-21-11-25(41-17(13-37)14-38)49-31(21)23-9-19-29(47-23)33-27(43(19)3)35-36(51-33)28-34(52-35)30-20(44(28)4)10-24(48-30)32-22(46-8-6-2)12-26(50-32)42-18(15-39)16-40;1-37-23-13-15(11-21-17-7-3-5-9-19(17)27(39)29(21)41)43-31(23)33-25(37)35-36(45-33)26-34(46-35)32-24(38(26)2)14-16(44-32)12-22-18-8-4-6-10-20(18)28(40)30(22)42;1-37-23-13-15(11-21-27(39)17-7-3-4-8-18(17)28(21)40)43-31(23)33-25(37)35-36(45-33)26-34(46-35)32-24(38(26)2)14-16(44-32)12-22-29(41)19-9-5-6-10-20(19)30(22)42;1-39-15-5-19(27-17(41-3)7-21(45-27)37-13(9-33)10-34)43-25(15)29-23(39)31-32(47-29)24-30(48-31)26-16(40(24)2)6-20(44-26)28-18(42-4)8-22(46-28)38-14(11-35)12-36;1-37-15-7-19(17-3-5-21(39-17)35-13(9-31)10-32)41-25(15)27-23(37)29-30(43-27)24-28(44-29)26-16(38(24)2)8-20(42-26)18-4-6-22(40-18)36-14(11-33)12-34;3*1-2(3,4)5;3*1-2/h3-12H,1-2H3;9-12H,5-8H2,1-4H3;2*3-14H,1-2H3;5-8H,1-4H3;3-8H,1-2H3;3*1H3;3*1-2H3/b;;21-11-,22-12-;;;;;;;;;
InChIKeyBDASSIQKTSADRF-OQCXJPJFSA-N
XLogP67.80
TPSA746.30 Ų
H-Bond Donors
H-Bond Acceptors80
Rotatable Bonds26
Heavy Atoms311
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004659.72
LogP ≤ 567.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1080

Analyze 2-[5-[16-[5-(dicyanomethylideneamino)-3-methoxythiophen-2-yl]-3,13-dimethyl-7,10,17,20-tetrathia-3,13-diazahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]-4-methoxythiophen-2-yl]iminopropanedinitrile;2-[5-[16-[5-(dicyanomethylideneamino)-3-propoxythiophen-2-yl]-3,13-dimethyl-7,10,17,20-tetrathia-3,13-diazahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]-4-propoxythiophen-2-yl]iminopropanedinitrile;2-[5-[16-[5-(dicyanomethylideneamino)thiophen-2-yl]-3,13-dimethyl-7,10,17,20-tetrathia-3,13-diazahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]thiophen-2-yl]iminopropanedinitrile;2-[2-[[16-[[1-(dicyanomethylidene)-3-oxoinden-2-ylidene]amino]-3,13-dimethyl-7,10,17,20-tetrathia-3,13-diazahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]imino]-3-oxoinden-1-ylidene]propanedinitrile;2-[[16-[(1,3-dioxoinden-2-ylidene)methyl]-3,13-dimethyl-7,10,17,20-tetrathia-3,13-diazahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]methylidene]indene-1,3-dione;(3Z)-3-[[16-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]-3,13-dimethyl-7,10,17,20-tetrathia-3,13-diazahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]methylidene]indene-1,2-dione;ethane;tris(1,1,1-trifluoroethane) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[16-[5-(dicyanomethylideneamino)-3-methoxythiophen-2-yl]-3,13-dimethyl-7,10,17,20-tetrathia-3,13-diazahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]-4-methoxythiophen-2-yl]iminopropanedinitrile;2-[5-[16-[5-(dicyanomethylideneamino)-3-propoxythiophen-2-yl]-3,13-dimethyl-7,10,17,20-tetrathia-3,13-diazahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]-4-propoxythiophen-2-yl]iminopropanedinitrile;2-[5-[16-[5-(dicyanomethylideneamino)thiophen-2-yl]-3,13-dimethyl-7,10,17,20-tetrathia-3,13-diazahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]thiophen-2-yl]iminopropanedinitrile;2-[2-[[16-[[1-(dicyanomethylidene)-3-oxoinden-2-ylidene]amino]-3,13-dimethyl-7,10,17,20-tetrathia-3,13-diazahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]imino]-3-oxoinden-1-ylidene]propanedinitrile;2-[[16-[(1,3-dioxoinden-2-ylidene)methyl]-3,13-dimethyl-7,10,17,20-tetrathia-3,13-diazahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]methylidene]indene-1,3-dione;(3Z)-3-[[16-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]-3,13-dimethyl-7,10,17,20-tetrathia-3,13-diazahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]methylidene]indene-1,2-dione;ethane;tris(1,1,1-trifluoroethane)?
The IUPAC name of 2-[5-[16-[5-(dicyanomethylideneamino)-3-methoxythiophen-2-yl]-3,13-dimethyl-7,10,17,20-tetrathia-3,13-diazahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]-4-methoxythiophen-2-yl]iminopropanedinitrile;2-[5-[16-[5-(dicyanomethylideneamino)-3-propoxythiophen-2-yl]-3,13-dimethyl-7,10,17,20-tetrathia-3,13-diazahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]-4-propoxythiophen-2-yl]iminopropanedinitrile;2-[5-[16-[5-(dicyanomethylideneamino)thiophen-2-yl]-3,13-dimethyl-7,10,17,20-tetrathia-3,13-diazahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]thiophen-2-yl]iminopropanedinitrile;2-[2-[[16-[[1-(dicyanomethylidene)-3-oxoinden-2-ylidene]amino]-3,13-dimethyl-7,10,17,20-tetrathia-3,13-diazahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]imino]-3-oxoinden-1-ylidene]propanedinitrile;2-[[16-[(1,3-dioxoinden-2-ylidene)methyl]-3,13-dimethyl-7,10,17,20-tetrathia-3,13-diazahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]methylidene]indene-1,3-dione;(3Z)-3-[[16-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]-3,13-dimethyl-7,10,17,20-tetrathia-3,13-diazahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]methylidene]indene-1,2-dione;ethane;tris(1,1,1-trifluoroethane) (CID 164955620) is 2-[5-[16-[5-(dicyanomethylideneamino)-3-methoxythiophen-2-yl]-3,13-dimethyl-7,10,17,20-tetrathia-3,13-diazahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]-4-methoxythiophen-2-yl]iminopropanedinitrile;2-[5-[16-[5-(dicyanomethylideneamino)-3-propoxythiophen-2-yl]-3,13-dimethyl-7,10,17,20-tetrathia-3,13-diazahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]-4-propoxythiophen-2-yl]iminopropanedinitrile;2-[5-[16-[5-(dicyanomethylideneamino)thiophen-2-yl]-3,13-dimethyl-7,10,17,20-tetrathia-3,13-diazahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]thiophen-2-yl]iminopropanedinitrile;2-[2-[[16-[[1-(dicyanomethylidene)-3-oxoinden-2-ylidene]amino]-3,13-dimethyl-7,10,17,20-tetrathia-3,13-diazahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]imino]-3-oxoinden-1-ylidene]propanedinitrile;2-[[16-[(1,3-dioxoinden-2-ylidene)methyl]-3,13-dimethyl-7,10,17,20-tetrathia-3,13-diazahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]methylidene]indene-1,3-dione;(3Z)-3-[[16-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]-3,13-dimethyl-7,10,17,20-tetrathia-3,13-diazahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]methylidene]indene-1,2-dione;ethane;tris(1,1,1-trifluoroethane).
What is the SMILES notation for 2-[5-[16-[5-(dicyanomethylideneamino)-3-methoxythiophen-2-yl]-3,13-dimethyl-7,10,17,20-tetrathia-3,13-diazahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]-4-methoxythiophen-2-yl]iminopropanedinitrile;2-[5-[16-[5-(dicyanomethylideneamino)-3-propoxythiophen-2-yl]-3,13-dimethyl-7,10,17,20-tetrathia-3,13-diazahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]-4-propoxythiophen-2-yl]iminopropanedinitrile;2-[5-[16-[5-(dicyanomethylideneamino)thiophen-2-yl]-3,13-dimethyl-7,10,17,20-tetrathia-3,13-diazahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]thiophen-2-yl]iminopropanedinitrile;2-[2-[[16-[[1-(dicyanomethylidene)-3-oxoinden-2-ylidene]amino]-3,13-dimethyl-7,10,17,20-tetrathia-3,13-diazahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]imino]-3-oxoinden-1-ylidene]propanedinitrile;2-[[16-[(1,3-dioxoinden-2-ylidene)methyl]-3,13-dimethyl-7,10,17,20-tetrathia-3,13-diazahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]methylidene]indene-1,3-dione;(3Z)-3-[[16-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]-3,13-dimethyl-7,10,17,20-tetrathia-3,13-diazahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]methylidene]indene-1,2-dione;ethane;tris(1,1,1-trifluoroethane)?
The canonical SMILES for 2-[5-[16-[5-(dicyanomethylideneamino)-3-methoxythiophen-2-yl]-3,13-dimethyl-7,10,17,20-tetrathia-3,13-diazahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]-4-methoxythiophen-2-yl]iminopropanedinitrile;2-[5-[16-[5-(dicyanomethylideneamino)-3-propoxythiophen-2-yl]-3,13-dimethyl-7,10,17,20-tetrathia-3,13-diazahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]-4-propoxythiophen-2-yl]iminopropanedinitrile;2-[5-[16-[5-(dicyanomethylideneamino)thiophen-2-yl]-3,13-dimethyl-7,10,17,20-tetrathia-3,13-diazahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]thiophen-2-yl]iminopropanedinitrile;2-[2-[[16-[[1-(dicyanomethylidene)-3-oxoinden-2-ylidene]amino]-3,13-dimethyl-7,10,17,20-tetrathia-3,13-diazahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]imino]-3-oxoinden-1-ylidene]propanedinitrile;2-[[16-[(1,3-dioxoinden-2-ylidene)methyl]-3,13-dimethyl-7,10,17,20-tetrathia-3,13-diazahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]methylidene]indene-1,3-dione;(3Z)-3-[[16-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]-3,13-dimethyl-7,10,17,20-tetrathia-3,13-diazahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]methylidene]indene-1,2-dione;ethane;tris(1,1,1-trifluoroethane) is CC.CC.CC.CC(F)(F)F.CC(F)(F)F.CC(F)(F)F.CCCOc1cc(N=C(C#N)C#N)sc1-c1cc2c(s1)c1sc3c(sc4c5sc(-c6sc(N=C(C#N)C#N)cc6OCCC)cc5n(C)c43)c1n2C.COc1cc(N=C(C#N)C#N)sc1-c1cc2c(s1)c1sc3c(sc4c5sc(-c6sc(N=C(C#N)C#N)cc6OC)cc5n(C)c43)c1n2C.Cn1c2cc(-c3ccc(N=C(C#N)C#N)s3)sc2c2sc3c(sc4c5sc(-c6ccc(N=C(C#N)C#N)s6)cc5n(C)c43)c21.Cn1c2cc(/C=C3\C(=O)C(=O)c4ccccc43)sc2c2sc3c(sc4c5sc(/C=C6\C(=O)C(=O)c7ccccc76)cc5n(C)c43)c21.Cn1c2cc(C=C3C(=O)c4ccccc4C3=O)sc2c2sc3c(sc4c5sc(C=C6C(=O)c7ccccc7C6=O)cc5n(C)c43)c21.Cn1c2cc(N=C3C(=O)c4ccccc4C3=C(C#N)C#N)sc2c2sc3c(sc4c5sc(N=C6C(=O)c7ccccc7C6=C(C#N)C#N)cc5n(C)c43)c21.
What is the InChIKey of 2-[5-[16-[5-(dicyanomethylideneamino)-3-methoxythiophen-2-yl]-3,13-dimethyl-7,10,17,20-tetrathia-3,13-diazahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]-4-methoxythiophen-2-yl]iminopropanedinitrile;2-[5-[16-[5-(dicyanomethylideneamino)-3-propoxythiophen-2-yl]-3,13-dimethyl-7,10,17,20-tetrathia-3,13-diazahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]-4-propoxythiophen-2-yl]iminopropanedinitrile;2-[5-[16-[5-(dicyanomethylideneamino)thiophen-2-yl]-3,13-dimethyl-7,10,17,20-tetrathia-3,13-diazahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]thiophen-2-yl]iminopropanedinitrile;2-[2-[[16-[[1-(dicyanomethylidene)-3-oxoinden-2-ylidene]amino]-3,13-dimethyl-7,10,17,20-tetrathia-3,13-diazahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]imino]-3-oxoinden-1-ylidene]propanedinitrile;2-[[16-[(1,3-dioxoinden-2-ylidene)methyl]-3,13-dimethyl-7,10,17,20-tetrathia-3,13-diazahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]methylidene]indene-1,3-dione;(3Z)-3-[[16-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]-3,13-dimethyl-7,10,17,20-tetrathia-3,13-diazahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]methylidene]indene-1,2-dione;ethane;tris(1,1,1-trifluoroethane)?
The InChIKey is BDASSIQKTSADRF-OQCXJPJFSA-N. The full InChI is InChI=1S/C40H16N8O2S4.C36H24N8O2S6.2C36H18N2O4S4.C32H16N8O2S6.C30H12N8S6.3C2H3F3.3C2H6/c1-47-23-11-25(45-29-27(17(13-41)14-42)19-7-3-5-9-21(19)33(29)49)51-35(23)37-31(47)39-40(53-37)32-38(54-39)36-24(48(32)2)12-26(52-36)46-30-28(18(15-43)16-44)20-8-4-6-10-22(20)34(30)50;1-5-7-45-21-11-25(41-17(13-37)14-38)49-31(21)23-9-19-29(47-23)33-27(43(19)3)35-36(51-33)28-34(52-35)30-20(44(28)4)10-24(48-30)32-22(46-8-6-2)12-26(50-32)42-18(15-39)16-40;1-37-23-13-15(11-21-17-7-3-5-9-19(17)27(39)29(21)41)43-31(23)33-25(37)35-36(45-33)26-34(46-35)32-24(38(26)2)14-16(44-32)12-22-18-8-4-6-10-20(18)28(40)30(22)42;1-37-23-13-15(11-21-27(39)17-7-3-4-8-18(17)28(21)40)43-31(23)33-25(37)35-36(45-33)26-34(46-35)32-24(38(26)2)14-16(44-32)12-22-29(41)19-9-5-6-10-20(19)30(22)42;1-39-15-5-19(27-17(41-3)7-21(45-27)37-13(9-33)10-34)43-25(15)29-23(39)31-32(47-29)24-30(48-31)26-16(40(24)2)6-20(44-26)28-18(42-4)8-22(46-28)38-14(11-35)12-36;1-37-15-7-19(17-3-5-21(39-17)35-13(9-31)10-32)41-25(15)27-23(37)29-30(43-27)24-28(44-29)26-16(38(24)2)8-20(42-26)18-4-6-22(40-18)36-14(11-33)12-34;3*1-2(3,4)5;3*1-2/h3-12H,1-2H3;9-12H,5-8H2,1-4H3;2*3-14H,1-2H3;5-8H,1-4H3;3-8H,1-2H3;3*1H3;3*1-2H3/b;;21-11-,22-12-;;;;;;;;;.
What are the key properties of 2-[5-[16-[5-(dicyanomethylideneamino)-3-methoxythiophen-2-yl]-3,13-dimethyl-7,10,17,20-tetrathia-3,13-diazahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]-4-methoxythiophen-2-yl]iminopropanedinitrile;2-[5-[16-[5-(dicyanomethylideneamino)-3-propoxythiophen-2-yl]-3,13-dimethyl-7,10,17,20-tetrathia-3,13-diazahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]-4-propoxythiophen-2-yl]iminopropanedinitrile;2-[5-[16-[5-(dicyanomethylideneamino)thiophen-2-yl]-3,13-dimethyl-7,10,17,20-tetrathia-3,13-diazahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]thiophen-2-yl]iminopropanedinitrile;2-[2-[[16-[[1-(dicyanomethylidene)-3-oxoinden-2-ylidene]amino]-3,13-dimethyl-7,10,17,20-tetrathia-3,13-diazahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]imino]-3-oxoinden-1-ylidene]propanedinitrile;2-[[16-[(1,3-dioxoinden-2-ylidene)methyl]-3,13-dimethyl-7,10,17,20-tetrathia-3,13-diazahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]methylidene]indene-1,3-dione;(3Z)-3-[[16-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]-3,13-dimethyl-7,10,17,20-tetrathia-3,13-diazahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]methylidene]indene-1,2-dione;ethane;tris(1,1,1-trifluoroethane)?
2-[5-[16-[5-(dicyanomethylideneamino)-3-methoxythiophen-2-yl]-3,13-dimethyl-7,10,17,20-tetrathia-3,13-diazahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]-4-methoxythiophen-2-yl]iminopropanedinitrile;2-[5-[16-[5-(dicyanomethylideneamino)-3-propoxythiophen-2-yl]-3,13-dimethyl-7,10,17,20-tetrathia-3,13-diazahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]-4-propoxythiophen-2-yl]iminopropanedinitrile;2-[5-[16-[5-(dicyanomethylideneamino)thiophen-2-yl]-3,13-dimethyl-7,10,17,20-tetrathia-3,13-diazahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]thiophen-2-yl]iminopropanedinitrile;2-[2-[[16-[[1-(dicyanomethylidene)-3-oxoinden-2-ylidene]amino]-3,13-dimethyl-7,10,17,20-tetrathia-3,13-diazahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]imino]-3-oxoinden-1-ylidene]propanedinitrile;2-[[16-[(1,3-dioxoinden-2-ylidene)methyl]-3,13-dimethyl-7,10,17,20-tetrathia-3,13-diazahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]methylidene]indene-1,3-dione;(3Z)-3-[[16-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]-3,13-dimethyl-7,10,17,20-tetrathia-3,13-diazahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]methylidene]indene-1,2-dione;ethane;tris(1,1,1-trifluoroethane) has a molecular weight of 4659.72 g/mol, XLogP of 67.80, 26 rotatable bonds, 0 hydrogen bond donors, and 80 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[16-[5-(dicyanomethylideneamino)-3-methoxythiophen-2-yl]-3,13-dimethyl-7,10,17,20-tetrathia-3,13-diazahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]-4-methoxythiophen-2-yl]iminopropanedinitrile;2-[5-[16-[5-(dicyanomethylideneamino)-3-propoxythiophen-2-yl]-3,13-dimethyl-7,10,17,20-tetrathia-3,13-diazahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]-4-propoxythiophen-2-yl]iminopropanedinitrile;2-[5-[16-[5-(dicyanomethylideneamino)thiophen-2-yl]-3,13-dimethyl-7,10,17,20-tetrathia-3,13-diazahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]thiophen-2-yl]iminopropanedinitrile;2-[2-[[16-[[1-(dicyanomethylidene)-3-oxoinden-2-ylidene]amino]-3,13-dimethyl-7,10,17,20-tetrathia-3,13-diazahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]imino]-3-oxoinden-1-ylidene]propanedinitrile;2-[[16-[(1,3-dioxoinden-2-ylidene)methyl]-3,13-dimethyl-7,10,17,20-tetrathia-3,13-diazahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]methylidene]indene-1,3-dione;(3Z)-3-[[16-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]-3,13-dimethyl-7,10,17,20-tetrathia-3,13-diazahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]methylidene]indene-1,2-dione;ethane;tris(1,1,1-trifluoroethane) is sourced from PubChem (CID 164955620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).