2-(dicyanomethylidene)-6-(diisocyanomethylidene)-3,7-bis(2,3,4,5,6-pentafluorophenyl)-1,5-dihydro-s-indacene-4,8-dicarbonitrile;2-[6-(diisocyanomethylidene)-4,8-bis(4,6-dimethyl-1,3,5-triazin-2-yl)-7-methyl-3-(trifluoromethylsulfanyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile;2-[6-(diisocyanomethylidene)-3,7-bis(2,3,4,5,6-pentafluorophenyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile;2-[6-(diisocyanomethylidene)-4,8-difluoro-3,7-bis(2,3,4,5,6-pentafluorophenyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile;2-[6-(diisocyanomethylidene)-7-methyl-4,8-dipyridin-2-yl-3-(trifluoromethylsulfanyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile;2-[6-(diisocyanomethylidene)-7-methyl-4,8-di(pyrimidin-2-yl)-3-(trifluoromethylsulfanyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile;2-[6-(diisocyanomethylidene)-7-methyl-4,8-di(pyrimidin-5-yl)-3-(trifluoromethylsulfanyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile

C208H74F44N46S4 — CID 157161135

IUPAC2-(dicyanomethylidene)-6-(diisocyanomethylidene)-3,7-bis(2,3,4,5,6-pentafluorophenyl)-1,5-dihydro-s-indacene-4,8-dicarbonitrile;2-[6-(diisocyanomethylidene)-4,8-bis(4,6-dimethyl-1,3,5-triazin-2-yl)-7-methyl-3-(trifluoromethylsulfanyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile;2-[6-(diisocyanomethylidene)-3,7-bis(2,3,4,5,6-pentafluorophenyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile;2-[6-(diisocyanomethylidene)-4,8-difluoro-3,7-bis(2,3,4,5,6-pentafluorophenyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile;2-[6-(diisocyanomethylidene)-7-methyl-4,8-dipyridin-2-yl-3-(trifluoromethylsulfanyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile;2-[6-(diisocyanomethylidene)-7-methyl-4,8-di(pyrimidin-2-yl)-3-(trifluoromethylsulfanyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile;2-[6-(diisocyanomethylidene)-7-methyl-4,8-di(pyrimidin-5-yl)-3-(trifluoromethylsulfanyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile
SMILES[C-]#[N+]C([N+]#[C-])=C1Cc2c(-c3ccccn3)c3c(c(-c4ccccn4)c2=C1C)CC(=C(C#N)C#N)C=3SC(F)(F)F.[C-]#[N+]C([N+]#[C-])=C1Cc2c(-c3cncnc3)c3c(c(-c4cncnc4)c2=C1C)CC(=C(C#N)C#N)C=3SC(F)(F)F.[C-]#[N+]C([N+]#[C-])=C1Cc2c(-c3nc(C)nc(C)n3)c3c(c(-c4nc(C)nc(C)n4)c2=C1C)CC(=C(C#N)C#N)C=3SC(F)(F)F.[C-]#[N+]C([N+]#[C-])=C1Cc2c(-c3ncccn3)c3c(c(-c4ncccn4)c2=C1C)CC(=C(C#N)C#N)C=3SC(F)(F)F.[C-]#[N+]C([N+]#[C-])=C1Cc2c(C#N)c3c(c(C#N)c2=C1c1c(F)c(F)c(F)c(F)c1F)CC(=C(C#N)C#N)C=3c1c(F)c(F)c(F)c(F)c1F.[C-]#[N+]C([N+]#[C-])=C1Cc2c(F)c3c(c(F)c2=C1c1c(F)c(F)c(F)c(F)c1F)CC(=C(C#N)C#N)C=3c1c(F)c(F)c(F)c(F)c1F.[C-]#[N+]C([N+]#[C-])=C1Cc2cc3c(cc2=C1c1c(F)c(F)c(F)c(F)c1F)CC(=C(C#N)C#N)C=3c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C32H4F10N6.C30H4F12N4.C30H6F10N4.C30H19F3N10S.C30H15F3N6S.2C28H13F3N8S/c1-47-32(48-2)13-4-12-15(8-46)16-11(14(7-45)17(12)19(13)21-24(35)28(39)31(42)29(40)25(21)36)3-10(9(5-43)6-44)18(16)20-22(33)26(37)30(41)27(38)23(20)34;1-45-30(46-2)11-4-10-15(13(11)17-22(35)26(39)29(42)27(40)23(17)36)18(31)9-3-8(7(5-43)6-44)12(14(9)19(10)32)16-20(33)24(37)28(41)25(38)21(16)34;1-43-30(44-2)15-6-10-4-12-9(3-13(10)17(15)19-22(33)26(37)29(40)27(38)23(19)34)5-14(11(7-41)8-42)16(12)18-20(31)24(35)28(39)25(36)21(18)32;1-12-18(27(36-6)37-7)8-20-22(12)24(28-40-13(2)38-14(3)41-28)21-9-19(17(10-34)11-35)26(44-30(31,32)33)23(21)25(20)29-42-15(4)39-16(5)43-29;1-16-18(29(36-2)37-3)12-20-24(16)25(22-8-4-6-10-38-22)21-13-19(17(14-34)15-35)28(40-30(31,32)33)27(21)26(20)23-9-5-7-11-39-23;1-14-18(27(34-2)35-3)4-20-22(14)23(16-8-36-12-37-9-16)21-5-19(15(6-32)7-33)26(40-28(29,30)31)25(21)24(20)17-10-38-13-39-11-17;1-14-16(25(34-2)35-3)10-18-20(14)22(26-36-6-4-7-37-26)19-11-17(15(12-32)13-33)24(40-28(29,30)31)21(19)23(18)27-38-8-5-9-39-27/h3-4H2;3-4H2;3-4H,5-6H2;8-9H2,1-5H3;4-11H,12-13H2,1H3;8-13H,4-5H2,1H3;4-9H,10-11H2,1H3
InChIKeyAMJSDBQNKGWBJI-UHFFFAOYSA-N
MW4181.38 g/mol
LogP37.75
Rot. Bonds18

About 2-(dicyanomethylidene)-6-(diisocyanomethylidene)-3,7-bis(2,3,4,5,6-pentafluorophenyl)-1,5-dihydro-s-indacene-4,8-dicarbonitrile;2-[6-(diisocyanomethylidene)-4,8-bis(4,6-dimethyl-1,3,5-triazin-2-yl)-7-methyl-3-(trifluoromethylsulfanyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile;2-[6-(diisocyanomethylidene)-3,7-bis(2,3,4,5,6-pentafluorophenyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile;2-[6-(diisocyanomethylidene)-4,8-difluoro-3,7-bis(2,3,4,5,6-pentafluorophenyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile;2-[6-(diisocyanomethylidene)-7-methyl-4,8-dipyridin-2-yl-3-(trifluoromethylsulfanyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile;2-[6-(diisocyanomethylidene)-7-methyl-4,8-di(pyrimidin-2-yl)-3-(trifluoromethylsulfanyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile;2-[6-(diisocyanomethylidene)-7-methyl-4,8-di(pyrimidin-5-yl)-3-(trifluoromethylsulfanyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile

2-(dicyanomethylidene)-6-(diisocyanomethylidene)-3,7-bis(2,3,4,5,6-pentafluorophenyl)-1,5-dihydro-s-indacene-4,8-dicarbonitrile;2-[6-(diisocyanomethylidene)-4,8-bis(4,6-dimethyl-1,3,5-triazin-2-yl)-7-methyl-3-(trifluoromethylsulfanyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile;2-[6-(diisocyanomethylidene)-3,7-bis(2,3,4,5,6-pentafluorophenyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile;2-[6-(diisocyanomethylidene)-4,8-difluoro-3,7-bis(2,3,4,5,6-pentafluorophenyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile;2-[6-(diisocyanomethylidene)-7-methyl-4,8-dipyridin-2-yl-3-(trifluoromethylsulfanyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile;2-[6-(diisocyanomethylidene)-7-methyl-4,8-di(pyrimidin-2-yl)-3-(trifluoromethylsulfanyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile;2-[6-(diisocyanomethylidene)-7-methyl-4,8-di(pyrimidin-5-yl)-3-(trifluoromethylsulfanyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile (PubChem CID 157161135) has the molecular formula C208H74F44N46S4 and a molecular weight of 4181.38 g/mol. Its IUPAC name is 2-(dicyanomethylidene)-6-(diisocyanomethylidene)-3,7-bis(2,3,4,5,6-pentafluorophenyl)-1,5-dihydro-s-indacene-4,8-dicarbonitrile;2-[6-(diisocyanomethylidene)-4,8-bis(4,6-dimethyl-1,3,5-triazin-2-yl)-7-methyl-3-(trifluoromethylsulfanyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile;2-[6-(diisocyanomethylidene)-3,7-bis(2,3,4,5,6-pentafluorophenyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile;2-[6-(diisocyanomethylidene)-4,8-difluoro-3,7-bis(2,3,4,5,6-pentafluorophenyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile;2-[6-(diisocyanomethylidene)-7-methyl-4,8-dipyridin-2-yl-3-(trifluoromethylsulfanyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile;2-[6-(diisocyanomethylidene)-7-methyl-4,8-di(pyrimidin-2-yl)-3-(trifluoromethylsulfanyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile;2-[6-(diisocyanomethylidene)-7-methyl-4,8-di(pyrimidin-5-yl)-3-(trifluoromethylsulfanyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile.

Molecular Properties

Compound Name2-(dicyanomethylidene)-6-(diisocyanomethylidene)-3,7-bis(2,3,4,5,6-pentafluorophenyl)-1,5-dihydro-s-indacene-4,8-dicarbonitrile;2-[6-(diisocyanomethylidene)-4,8-bis(4,6-dimethyl-1,3,5-triazin-2-yl)-7-methyl-3-(trifluoromethylsulfanyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile;2-[6-(diisocyanomethylidene)-3,7-bis(2,3,4,5,6-pentafluorophenyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile;2-[6-(diisocyanomethylidene)-4,8-difluoro-3,7-bis(2,3,4,5,6-pentafluorophenyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile;2-[6-(diisocyanomethylidene)-7-methyl-4,8-dipyridin-2-yl-3-(trifluoromethylsulfanyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile;2-[6-(diisocyanomethylidene)-7-methyl-4,8-di(pyrimidin-2-yl)-3-(trifluoromethylsulfanyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile;2-[6-(diisocyanomethylidene)-7-methyl-4,8-di(pyrimidin-5-yl)-3-(trifluoromethylsulfanyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile
PubChem CID157161135
Molecular FormulaC208H74F44N46S4
Molecular Weight4181.38 g/mol
Exact Mass4178.54
IUPAC Name2-(dicyanomethylidene)-6-(diisocyanomethylidene)-3,7-bis(2,3,4,5,6-pentafluorophenyl)-1,5-dihydro-s-indacene-4,8-dicarbonitrile;2-[6-(diisocyanomethylidene)-4,8-bis(4,6-dimethyl-1,3,5-triazin-2-yl)-7-methyl-3-(trifluoromethylsulfanyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile;2-[6-(diisocyanomethylidene)-3,7-bis(2,3,4,5,6-pentafluorophenyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile;2-[6-(diisocyanomethylidene)-4,8-difluoro-3,7-bis(2,3,4,5,6-pentafluorophenyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile;2-[6-(diisocyanomethylidene)-7-methyl-4,8-dipyridin-2-yl-3-(trifluoromethylsulfanyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile;2-[6-(diisocyanomethylidene)-7-methyl-4,8-di(pyrimidin-2-yl)-3-(trifluoromethylsulfanyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile;2-[6-(diisocyanomethylidene)-7-methyl-4,8-di(pyrimidin-5-yl)-3-(trifluoromethylsulfanyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile
SMILES[C-]#[N+]C([N+]#[C-])=C1Cc2c(-c3ccccn3)c3c(c(-c4ccccn4)c2=C1C)CC(=C(C#N)C#N)C=3SC(F)(F)F.[C-]#[N+]C([N+]#[C-])=C1Cc2c(-c3cncnc3)c3c(c(-c4cncnc4)c2=C1C)CC(=C(C#N)C#N)C=3SC(F)(F)F.[C-]#[N+]C([N+]#[C-])=C1Cc2c(-c3nc(C)nc(C)n3)c3c(c(-c4nc(C)nc(C)n4)c2=C1C)CC(=C(C#N)C#N)C=3SC(F)(F)F.[C-]#[N+]C([N+]#[C-])=C1Cc2c(-c3ncccn3)c3c(c(-c4ncccn4)c2=C1C)CC(=C(C#N)C#N)C=3SC(F)(F)F.[C-]#[N+]C([N+]#[C-])=C1Cc2c(C#N)c3c(c(C#N)c2=C1c1c(F)c(F)c(F)c(F)c1F)CC(=C(C#N)C#N)C=3c1c(F)c(F)c(F)c(F)c1F.[C-]#[N+]C([N+]#[C-])=C1Cc2c(F)c3c(c(F)c2=C1c1c(F)c(F)c(F)c(F)c1F)CC(=C(C#N)C#N)C=3c1c(F)c(F)c(F)c(F)c1F.[C-]#[N+]C([N+]#[C-])=C1Cc2cc3c(cc2=C1c1c(F)c(F)c(F)c(F)c1F)CC(=C(C#N)C#N)C=3c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C32H4F10N6.C30H4F12N4.C30H6F10N4.C30H19F3N10S.C30H15F3N6S.2C28H13F3N8S/c1-47-32(48-2)13-4-12-15(8-46)16-11(14(7-45)17(12)19(13)21-24(35)28(39)31(42)29(40)25(21)36)3-10(9(5-43)6-44)18(16)20-22(33)26(37)30(41)27(38)23(20)34;1-45-30(46-2)11-4-10-15(13(11)17-22(35)26(39)29(42)27(40)23(17)36)18(31)9-3-8(7(5-43)6-44)12(14(9)19(10)32)16-20(33)24(37)28(41)25(38)21(16)34;1-43-30(44-2)15-6-10-4-12-9(3-13(10)17(15)19-22(33)26(37)29(40)27(38)23(19)34)5-14(11(7-41)8-42)16(12)18-20(31)24(35)28(39)25(36)21(18)32;1-12-18(27(36-6)37-7)8-20-22(12)24(28-40-13(2)38-14(3)41-28)21-9-19(17(10-34)11-35)26(44-30(31,32)33)23(21)25(20)29-42-15(4)39-16(5)43-29;1-16-18(29(36-2)37-3)12-20-24(16)25(22-8-4-6-10-38-22)21-13-19(17(14-34)15-35)28(40-30(31,32)33)27(21)26(20)23-9-5-7-11-39-23;1-14-18(27(34-2)35-3)4-20-22(14)23(16-8-36-12-37-9-16)21-5-19(15(6-32)7-33)26(40-28(29,30)31)25(21)24(20)17-10-38-13-39-11-17;1-14-16(25(34-2)35-3)10-18-20(14)22(26-36-6-4-7-37-26)19-11-17(15(12-32)13-33)24(40-28(29,30)31)21(19)23(18)27-38-8-5-9-39-27/h3-4H2;3-4H2;3-4H,5-6H2;8-9H2,1-5H3;4-11H,12-13H2,1H3;8-13H,4-5H2,1H3;4-9H,10-11H2,1H3
InChIKeyAMJSDBQNKGWBJI-UHFFFAOYSA-N
XLogP37.75
TPSA647.92 Ų
H-Bond Donors
H-Bond Acceptors36
Rotatable Bonds18
Heavy Atoms302
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004181.38
LogP ≤ 537.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1036

Analyze 2-(dicyanomethylidene)-6-(diisocyanomethylidene)-3,7-bis(2,3,4,5,6-pentafluorophenyl)-1,5-dihydro-s-indacene-4,8-dicarbonitrile;2-[6-(diisocyanomethylidene)-4,8-bis(4,6-dimethyl-1,3,5-triazin-2-yl)-7-methyl-3-(trifluoromethylsulfanyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile;2-[6-(diisocyanomethylidene)-3,7-bis(2,3,4,5,6-pentafluorophenyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile;2-[6-(diisocyanomethylidene)-4,8-difluoro-3,7-bis(2,3,4,5,6-pentafluorophenyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile;2-[6-(diisocyanomethylidene)-7-methyl-4,8-dipyridin-2-yl-3-(trifluoromethylsulfanyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile;2-[6-(diisocyanomethylidene)-7-methyl-4,8-di(pyrimidin-2-yl)-3-(trifluoromethylsulfanyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile;2-[6-(diisocyanomethylidene)-7-methyl-4,8-di(pyrimidin-5-yl)-3-(trifluoromethylsulfanyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(dicyanomethylidene)-6-(diisocyanomethylidene)-3,7-bis(2,3,4,5,6-pentafluorophenyl)-1,5-dihydro-s-indacene-4,8-dicarbonitrile;2-[6-(diisocyanomethylidene)-4,8-bis(4,6-dimethyl-1,3,5-triazin-2-yl)-7-methyl-3-(trifluoromethylsulfanyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile;2-[6-(diisocyanomethylidene)-3,7-bis(2,3,4,5,6-pentafluorophenyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile;2-[6-(diisocyanomethylidene)-4,8-difluoro-3,7-bis(2,3,4,5,6-pentafluorophenyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile;2-[6-(diisocyanomethylidene)-7-methyl-4,8-dipyridin-2-yl-3-(trifluoromethylsulfanyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile;2-[6-(diisocyanomethylidene)-7-methyl-4,8-di(pyrimidin-2-yl)-3-(trifluoromethylsulfanyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile;2-[6-(diisocyanomethylidene)-7-methyl-4,8-di(pyrimidin-5-yl)-3-(trifluoromethylsulfanyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile?
The IUPAC name of 2-(dicyanomethylidene)-6-(diisocyanomethylidene)-3,7-bis(2,3,4,5,6-pentafluorophenyl)-1,5-dihydro-s-indacene-4,8-dicarbonitrile;2-[6-(diisocyanomethylidene)-4,8-bis(4,6-dimethyl-1,3,5-triazin-2-yl)-7-methyl-3-(trifluoromethylsulfanyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile;2-[6-(diisocyanomethylidene)-3,7-bis(2,3,4,5,6-pentafluorophenyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile;2-[6-(diisocyanomethylidene)-4,8-difluoro-3,7-bis(2,3,4,5,6-pentafluorophenyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile;2-[6-(diisocyanomethylidene)-7-methyl-4,8-dipyridin-2-yl-3-(trifluoromethylsulfanyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile;2-[6-(diisocyanomethylidene)-7-methyl-4,8-di(pyrimidin-2-yl)-3-(trifluoromethylsulfanyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile;2-[6-(diisocyanomethylidene)-7-methyl-4,8-di(pyrimidin-5-yl)-3-(trifluoromethylsulfanyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile (CID 157161135) is 2-(dicyanomethylidene)-6-(diisocyanomethylidene)-3,7-bis(2,3,4,5,6-pentafluorophenyl)-1,5-dihydro-s-indacene-4,8-dicarbonitrile;2-[6-(diisocyanomethylidene)-4,8-bis(4,6-dimethyl-1,3,5-triazin-2-yl)-7-methyl-3-(trifluoromethylsulfanyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile;2-[6-(diisocyanomethylidene)-3,7-bis(2,3,4,5,6-pentafluorophenyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile;2-[6-(diisocyanomethylidene)-4,8-difluoro-3,7-bis(2,3,4,5,6-pentafluorophenyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile;2-[6-(diisocyanomethylidene)-7-methyl-4,8-dipyridin-2-yl-3-(trifluoromethylsulfanyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile;2-[6-(diisocyanomethylidene)-7-methyl-4,8-di(pyrimidin-2-yl)-3-(trifluoromethylsulfanyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile;2-[6-(diisocyanomethylidene)-7-methyl-4,8-di(pyrimidin-5-yl)-3-(trifluoromethylsulfanyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile.
What is the SMILES notation for 2-(dicyanomethylidene)-6-(diisocyanomethylidene)-3,7-bis(2,3,4,5,6-pentafluorophenyl)-1,5-dihydro-s-indacene-4,8-dicarbonitrile;2-[6-(diisocyanomethylidene)-4,8-bis(4,6-dimethyl-1,3,5-triazin-2-yl)-7-methyl-3-(trifluoromethylsulfanyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile;2-[6-(diisocyanomethylidene)-3,7-bis(2,3,4,5,6-pentafluorophenyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile;2-[6-(diisocyanomethylidene)-4,8-difluoro-3,7-bis(2,3,4,5,6-pentafluorophenyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile;2-[6-(diisocyanomethylidene)-7-methyl-4,8-dipyridin-2-yl-3-(trifluoromethylsulfanyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile;2-[6-(diisocyanomethylidene)-7-methyl-4,8-di(pyrimidin-2-yl)-3-(trifluoromethylsulfanyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile;2-[6-(diisocyanomethylidene)-7-methyl-4,8-di(pyrimidin-5-yl)-3-(trifluoromethylsulfanyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile?
The canonical SMILES for 2-(dicyanomethylidene)-6-(diisocyanomethylidene)-3,7-bis(2,3,4,5,6-pentafluorophenyl)-1,5-dihydro-s-indacene-4,8-dicarbonitrile;2-[6-(diisocyanomethylidene)-4,8-bis(4,6-dimethyl-1,3,5-triazin-2-yl)-7-methyl-3-(trifluoromethylsulfanyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile;2-[6-(diisocyanomethylidene)-3,7-bis(2,3,4,5,6-pentafluorophenyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile;2-[6-(diisocyanomethylidene)-4,8-difluoro-3,7-bis(2,3,4,5,6-pentafluorophenyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile;2-[6-(diisocyanomethylidene)-7-methyl-4,8-dipyridin-2-yl-3-(trifluoromethylsulfanyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile;2-[6-(diisocyanomethylidene)-7-methyl-4,8-di(pyrimidin-2-yl)-3-(trifluoromethylsulfanyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile;2-[6-(diisocyanomethylidene)-7-methyl-4,8-di(pyrimidin-5-yl)-3-(trifluoromethylsulfanyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile is [C-]#[N+]C([N+]#[C-])=C1Cc2c(-c3ccccn3)c3c(c(-c4ccccn4)c2=C1C)CC(=C(C#N)C#N)C=3SC(F)(F)F.[C-]#[N+]C([N+]#[C-])=C1Cc2c(-c3cncnc3)c3c(c(-c4cncnc4)c2=C1C)CC(=C(C#N)C#N)C=3SC(F)(F)F.[C-]#[N+]C([N+]#[C-])=C1Cc2c(-c3nc(C)nc(C)n3)c3c(c(-c4nc(C)nc(C)n4)c2=C1C)CC(=C(C#N)C#N)C=3SC(F)(F)F.[C-]#[N+]C([N+]#[C-])=C1Cc2c(-c3ncccn3)c3c(c(-c4ncccn4)c2=C1C)CC(=C(C#N)C#N)C=3SC(F)(F)F.[C-]#[N+]C([N+]#[C-])=C1Cc2c(C#N)c3c(c(C#N)c2=C1c1c(F)c(F)c(F)c(F)c1F)CC(=C(C#N)C#N)C=3c1c(F)c(F)c(F)c(F)c1F.[C-]#[N+]C([N+]#[C-])=C1Cc2c(F)c3c(c(F)c2=C1c1c(F)c(F)c(F)c(F)c1F)CC(=C(C#N)C#N)C=3c1c(F)c(F)c(F)c(F)c1F.[C-]#[N+]C([N+]#[C-])=C1Cc2cc3c(cc2=C1c1c(F)c(F)c(F)c(F)c1F)CC(=C(C#N)C#N)C=3c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 2-(dicyanomethylidene)-6-(diisocyanomethylidene)-3,7-bis(2,3,4,5,6-pentafluorophenyl)-1,5-dihydro-s-indacene-4,8-dicarbonitrile;2-[6-(diisocyanomethylidene)-4,8-bis(4,6-dimethyl-1,3,5-triazin-2-yl)-7-methyl-3-(trifluoromethylsulfanyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile;2-[6-(diisocyanomethylidene)-3,7-bis(2,3,4,5,6-pentafluorophenyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile;2-[6-(diisocyanomethylidene)-4,8-difluoro-3,7-bis(2,3,4,5,6-pentafluorophenyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile;2-[6-(diisocyanomethylidene)-7-methyl-4,8-dipyridin-2-yl-3-(trifluoromethylsulfanyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile;2-[6-(diisocyanomethylidene)-7-methyl-4,8-di(pyrimidin-2-yl)-3-(trifluoromethylsulfanyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile;2-[6-(diisocyanomethylidene)-7-methyl-4,8-di(pyrimidin-5-yl)-3-(trifluoromethylsulfanyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile?
The InChIKey is AMJSDBQNKGWBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H4F10N6.C30H4F12N4.C30H6F10N4.C30H19F3N10S.C30H15F3N6S.2C28H13F3N8S/c1-47-32(48-2)13-4-12-15(8-46)16-11(14(7-45)17(12)19(13)21-24(35)28(39)31(42)29(40)25(21)36)3-10(9(5-43)6-44)18(16)20-22(33)26(37)30(41)27(38)23(20)34;1-45-30(46-2)11-4-10-15(13(11)17-22(35)26(39)29(42)27(40)23(17)36)18(31)9-3-8(7(5-43)6-44)12(14(9)19(10)32)16-20(33)24(37)28(41)25(38)21(16)34;1-43-30(44-2)15-6-10-4-12-9(3-13(10)17(15)19-22(33)26(37)29(40)27(38)23(19)34)5-14(11(7-41)8-42)16(12)18-20(31)24(35)28(39)25(36)21(18)32;1-12-18(27(36-6)37-7)8-20-22(12)24(28-40-13(2)38-14(3)41-28)21-9-19(17(10-34)11-35)26(44-30(31,32)33)23(21)25(20)29-42-15(4)39-16(5)43-29;1-16-18(29(36-2)37-3)12-20-24(16)25(22-8-4-6-10-38-22)21-13-19(17(14-34)15-35)28(40-30(31,32)33)27(21)26(20)23-9-5-7-11-39-23;1-14-18(27(34-2)35-3)4-20-22(14)23(16-8-36-12-37-9-16)21-5-19(15(6-32)7-33)26(40-28(29,30)31)25(21)24(20)17-10-38-13-39-11-17;1-14-16(25(34-2)35-3)10-18-20(14)22(26-36-6-4-7-37-26)19-11-17(15(12-32)13-33)24(40-28(29,30)31)21(19)23(18)27-38-8-5-9-39-27/h3-4H2;3-4H2;3-4H,5-6H2;8-9H2,1-5H3;4-11H,12-13H2,1H3;8-13H,4-5H2,1H3;4-9H,10-11H2,1H3.
What are the key properties of 2-(dicyanomethylidene)-6-(diisocyanomethylidene)-3,7-bis(2,3,4,5,6-pentafluorophenyl)-1,5-dihydro-s-indacene-4,8-dicarbonitrile;2-[6-(diisocyanomethylidene)-4,8-bis(4,6-dimethyl-1,3,5-triazin-2-yl)-7-methyl-3-(trifluoromethylsulfanyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile;2-[6-(diisocyanomethylidene)-3,7-bis(2,3,4,5,6-pentafluorophenyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile;2-[6-(diisocyanomethylidene)-4,8-difluoro-3,7-bis(2,3,4,5,6-pentafluorophenyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile;2-[6-(diisocyanomethylidene)-7-methyl-4,8-dipyridin-2-yl-3-(trifluoromethylsulfanyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile;2-[6-(diisocyanomethylidene)-7-methyl-4,8-di(pyrimidin-2-yl)-3-(trifluoromethylsulfanyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile;2-[6-(diisocyanomethylidene)-7-methyl-4,8-di(pyrimidin-5-yl)-3-(trifluoromethylsulfanyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile?
2-(dicyanomethylidene)-6-(diisocyanomethylidene)-3,7-bis(2,3,4,5,6-pentafluorophenyl)-1,5-dihydro-s-indacene-4,8-dicarbonitrile;2-[6-(diisocyanomethylidene)-4,8-bis(4,6-dimethyl-1,3,5-triazin-2-yl)-7-methyl-3-(trifluoromethylsulfanyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile;2-[6-(diisocyanomethylidene)-3,7-bis(2,3,4,5,6-pentafluorophenyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile;2-[6-(diisocyanomethylidene)-4,8-difluoro-3,7-bis(2,3,4,5,6-pentafluorophenyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile;2-[6-(diisocyanomethylidene)-7-methyl-4,8-dipyridin-2-yl-3-(trifluoromethylsulfanyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile;2-[6-(diisocyanomethylidene)-7-methyl-4,8-di(pyrimidin-2-yl)-3-(trifluoromethylsulfanyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile;2-[6-(diisocyanomethylidene)-7-methyl-4,8-di(pyrimidin-5-yl)-3-(trifluoromethylsulfanyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile has a molecular weight of 4181.38 g/mol, XLogP of 37.75, 18 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dicyanomethylidene)-6-(diisocyanomethylidene)-3,7-bis(2,3,4,5,6-pentafluorophenyl)-1,5-dihydro-s-indacene-4,8-dicarbonitrile;2-[6-(diisocyanomethylidene)-4,8-bis(4,6-dimethyl-1,3,5-triazin-2-yl)-7-methyl-3-(trifluoromethylsulfanyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile;2-[6-(diisocyanomethylidene)-3,7-bis(2,3,4,5,6-pentafluorophenyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile;2-[6-(diisocyanomethylidene)-4,8-difluoro-3,7-bis(2,3,4,5,6-pentafluorophenyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile;2-[6-(diisocyanomethylidene)-7-methyl-4,8-dipyridin-2-yl-3-(trifluoromethylsulfanyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile;2-[6-(diisocyanomethylidene)-7-methyl-4,8-di(pyrimidin-2-yl)-3-(trifluoromethylsulfanyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile;2-[6-(diisocyanomethylidene)-7-methyl-4,8-di(pyrimidin-5-yl)-3-(trifluoromethylsulfanyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile is sourced from PubChem (CID 157161135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).