5,6-difluoro-2-[[7-[3-(4-methyl-N-(4-methylphenyl)anilino)-2-benzothiophen-1-yl]-2,1,3-benzothiadiazol-4-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;5,7-difluoro-3-[[4-[3-(4-methyl-N-(4-methylphenyl)anilino)-2-benzothiophen-1-yl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;1,4-dimethyl-5-[[7-[3-(4-methyl-N-(4-methylphenyl)anilino)-2-benzothiophen-1-yl]-2,1,3-benzothiadiazol-4-yl]imino]-2,6-dioxopyridine-3-carbonitrile;1,4-dimethyl-5-[[5-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-[2,1,3]benzothiadiazolo[7,6-g][2,1,3]benzothiadiazol-10-yl]imino]-2,6-dioxopyridine-3-carbonitrile;3-[[7-[3-(4-methyl-N-(4-methylphenyl)anilino)-2-benzothiophen-1-yl]-2,1,3-benzothiadiazol-4-yl]imino]-6-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;2-[[4-[3-(4-methyl-N-(4-methylphenyl)anilino)-2-benzothiophen-1-yl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;3-[[4-[3-(4-methyl-N-(4-methylphenyl)anilino)-2-benzothiophen-1-yl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,2-dione

C255H192F7N37O14S15 — CID 164979286

About 5,6-difluoro-2-[[7-[3-(4-methyl-N-(4-methylphenyl)anilino)-2-benzothiophen-1-yl]-2,1,3-benzothiadiazol-4-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;5,7-difluoro-3-[[4-[3-(4-methyl-N-(4-methylphenyl)anilino)-2-benzothiophen-1-yl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;1,4-dimethyl-5-[[7-[3-(4-methyl-N-(4-methylphenyl)anilino)-2-benzothiophen-1-yl]-2,1,3-benzothiadiazol-4-yl]imino]-2,6-dioxopyridine-3-carbonitrile;1,4-dimethyl-5-[[5-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-[2,1,3]benzothiadiazolo[7,6-g][2,1,3]benzothiadiazol-10-yl]imino]-2,6-dioxopyridine-3-carbonitrile;3-[[7-[3-(4-methyl-N-(4-methylphenyl)anilino)-2-benzothiophen-1-yl]-2,1,3-benzothiadiazol-4-yl]imino]-6-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;2-[[4-[3-(4-methyl-N-(4-methylphenyl)anilino)-2-benzothiophen-1-yl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;3-[[4-[3-(4-methyl-N-(4-methylphenyl)anilino)-2-benzothiophen-1-yl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,2-dione

5,6-difluoro-2-[[7-[3-(4-methyl-N-(4-methylphenyl)anilino)-2-benzothiophen-1-yl]-2,1,3-benzothiadiazol-4-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;5,7-difluoro-3-[[4-[3-(4-methyl-N-(4-methylphenyl)anilino)-2-benzothiophen-1-yl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;1,4-dimethyl-5-[[7-[3-(4-methyl-N-(4-methylphenyl)anilino)-2-benzothiophen-1-yl]-2,1,3-benzothiadiazol-4-yl]imino]-2,6-dioxopyridine-3-carbonitrile;1,4-dimethyl-5-[[5-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-[2,1,3]benzothiadiazolo[7,6-g][2,1,3]benzothiadiazol-10-yl]imino]-2,6-dioxopyridine-3-carbonitrile;3-[[7-[3-(4-methyl-N-(4-methylphenyl)anilino)-2-benzothiophen-1-yl]-2,1,3-benzothiadiazol-4-yl]imino]-6-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;2-[[4-[3-(4-methyl-N-(4-methylphenyl)anilino)-2-benzothiophen-1-yl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;3-[[4-[3-(4-methyl-N-(4-methylphenyl)anilino)-2-benzothiophen-1-yl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,2-dione (PubChem CID 164979286) has the molecular formula C255H192F7N37O14S15 and a molecular weight of 4612.58 g/mol. Its IUPAC name is 5,6-difluoro-2-[[7-[3-(4-methyl-N-(4-methylphenyl)anilino)-2-benzothiophen-1-yl]-2,1,3-benzothiadiazol-4-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;5,7-difluoro-3-[[4-[3-(4-methyl-N-(4-methylphenyl)anilino)-2-benzothiophen-1-yl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;1,4-dimethyl-5-[[7-[3-(4-methyl-N-(4-methylphenyl)anilino)-2-benzothiophen-1-yl]-2,1,3-benzothiadiazol-4-yl]imino]-2,6-dioxopyridine-3-carbonitrile;1,4-dimethyl-5-[[5-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-[2,1,3]benzothiadiazolo[7,6-g][2,1,3]benzothiadiazol-10-yl]imino]-2,6-dioxopyridine-3-carbonitrile;3-[[7-[3-(4-methyl-N-(4-methylphenyl)anilino)-2-benzothiophen-1-yl]-2,1,3-benzothiadiazol-4-yl]imino]-6-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;2-[[4-[3-(4-methyl-N-(4-methylphenyl)anilino)-2-benzothiophen-1-yl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;3-[[4-[3-(4-methyl-N-(4-methylphenyl)anilino)-2-benzothiophen-1-yl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,2-dione.

Molecular Properties

• Compound Name: 5,6-difluoro-2-[[7-[3-(4-methyl-N-(4-methylphenyl)anilino)-2-benzothiophen-1-yl]-2,1,3-benzothiadiazol-4-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;5,7-difluoro-3-[[4-[3-(4-methyl-N-(4-methylphenyl)anilino)-2-benzothiophen-1-yl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;1,4-dimethyl-5-[[7-[3-(4-methyl-N-(4-methylphenyl)anilino)-2-benzothiophen-1-yl]-2,1,3-benzothiadiazol-4-yl]imino]-2,6-dioxopyridine-3-carbonitrile;1,4-dimethyl-5-[[5-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-[2,1,3]benzothiadiazolo[7,6-g][2,1,3]benzothiadiazol-10-yl]imino]-2,6-dioxopyridine-3-carbonitrile;3-[[7-[3-(4-methyl-N-(4-methylphenyl)anilino)-2-benzothiophen-1-yl]-2,1,3-benzothiadiazol-4-yl]imino]-6-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;2-[[4-[3-(4-methyl-N-(4-methylphenyl)anilino)-2-benzothiophen-1-yl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;3-[[4-[3-(4-methyl-N-(4-methylphenyl)anilino)-2-benzothiophen-1-yl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,2-dione
• PubChem CID: 164979286
• Molecular Formula: C255H192F7N37O14S15
• Molecular Weight: 4612.58 g/mol
• Exact Mass: 4608.11
• IUPAC Name: 5,6-difluoro-2-[[7-[3-(4-methyl-N-(4-methylphenyl)anilino)-2-benzothiophen-1-yl]-2,1,3-benzothiadiazol-4-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;5,7-difluoro-3-[[4-[3-(4-methyl-N-(4-methylphenyl)anilino)-2-benzothiophen-1-yl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;1,4-dimethyl-5-[[7-[3-(4-methyl-N-(4-methylphenyl)anilino)-2-benzothiophen-1-yl]-2,1,3-benzothiadiazol-4-yl]imino]-2,6-dioxopyridine-3-carbonitrile;1,4-dimethyl-5-[[5-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-[2,1,3]benzothiadiazolo[7,6-g][2,1,3]benzothiadiazol-10-yl]imino]-2,6-dioxopyridine-3-carbonitrile;3-[[7-[3-(4-methyl-N-(4-methylphenyl)anilino)-2-benzothiophen-1-yl]-2,1,3-benzothiadiazol-4-yl]imino]-6-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;2-[[4-[3-(4-methyl-N-(4-methylphenyl)anilino)-2-benzothiophen-1-yl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;3-[[4-[3-(4-methyl-N-(4-methylphenyl)anilino)-2-benzothiophen-1-yl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,2-dione
• SMILES: CC1=C(C#N)C(=O)N(C)C(=O)/C1=N/c1ccc(-c2sc(N(c3ccc(C)cc3)c3ccc(C)cc3)c3ccccc23)c2nsnc12.CC1=C(C#N)C(=O)N(C)C(=O)/C1=N\c1cc2c(cc(-c3ccc(N(c4ccc(C)cc4)c4ccc(C)cc4)s3)c3nsnc32)c2nsnc12.Cc1ccc(N(c2ccc(C)cc2)c2sc(-c3ccc(/N=C4\C(=O)C(=O)C5CC(C(F)(F)F)CCC45)c4nsnc34)c3ccccc23)cc1.Cc1ccc(N(c2ccc(C)cc2)c2sc(-c3ccc(N=C4C(=O)C5CC(F)C(F)CC5C4=O)c4nsnc34)c3ccccc23)cc1.Cc1ccc(N(c2ccc(C)cc2)c2sc(-c3ncc(/N=C4\C(=O)C(=O)C5C(F)CC(F)CC45)c4nsnc34)c3ccccc23)cc1.Cc1ccc(N(c2ccc(C)cc2)c2sc(-c3ncc(/N=C4\C(=O)C(=O)C5CCCCC45)c4nsnc34)c3ccccc23)cc1.Cc1ccc(N(c2ccc(C)cc2)c2sc(-c3ncc(N=C4C(=O)C5CCCCC5C4=O)c4nsnc34)c3ccccc23)cc1
• InChI: InChI=1S/C38H29F3N4O2S2.C37H28F2N4O2S2.C36H27F2N5O2S2.C36H24N8O2S3.C36H26N6O2S2.2C36H29N5O2S2/c1-20-7-12-23(13-8-20)45(24-14-9-21(2)10-15-24)37-27-6-4-3-5-26(27)36(48-37)28-17-18-30(33-31(28)43-49-44-33)42-32-25-16-11-22(38(39,40)41)19-29(25)34(46)35(32)47;1-19-7-11-21(12-8-19)43(22-13-9-20(2)10-14-22)37-24-6-4-3-5-23(24)36(46-37)25-15-16-30(32-31(25)41-47-42-32)40-33-34(44)26-17-28(38)29(39)18-27(26)35(33)45;1-18-7-11-21(12-8-18)43(22-13-9-19(2)10-14-22)36-24-6-4-3-5-23(24)35(46-36)32-31-30(41-47-42-31)27(17-39-32)40-29-25-15-20(37)16-26(38)28(25)33(44)34(29)45;1-18-5-9-21(10-6-18)44(22-11-7-19(2)8-12-22)29-14-13-28(47-29)25-15-23-24(31-33(25)41-48-39-31)16-27(34-32(23)40-49-42-34)38-30-20(3)26(17-37)35(45)43(4)36(30)46;1-20-9-13-23(14-10-20)42(24-15-11-21(2)12-16-24)36-26-8-6-5-7-25(26)33(45-36)27-17-18-29(32-31(27)39-46-40-32)38-30-22(3)28(19-37)34(43)41(4)35(30)44;1-20-11-15-22(16-12-20)41(23-17-13-21(2)14-18-23)36-27-10-6-5-9-26(27)35(44-36)31-30-29(39-45-40-30)28(19-37-31)38-32-33(42)24-7-3-4-8-25(24)34(32)43;1-20-11-15-22(16-12-20)41(23-17-13-21(2)14-18-23)36-27-10-6-5-9-26(27)35(44-36)32-31-30(39-45-40-31)28(19-37-32)38-29-24-7-3-4-8-25(24)33(42)34(29)43/h3-10,12-15,17-18,22,25,29H,11,16,19H2,1-2H3;3-16,26-29H,17-18H2,1-2H3;3-14,17,20,25-26,28H,15-16H2,1-2H3;5-16H,1-4H3;5-18H,1-4H3;2*5-6,9-19,24-25H,3-4,7-8H2,1-2H3/b42-32-;;40-29-;38-30-;38-30+;;38-29-
• InChIKey: PYTRMFUGFBVZHM-IHFFKGLPSA-N
• XLogP: 64.36
• TPSA: 647.15 Ų
• H-Bond Acceptors: 64
• Rotatable Bonds: 35
• Heavy Atoms: 328
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4612.58
LogP ≤ 5	64.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	64

Frequently Asked Questions

What is the IUPAC name of 5,6-difluoro-2-[[7-[3-(4-methyl-N-(4-methylphenyl)anilino)-2-benzothiophen-1-yl]-2,1,3-benzothiadiazol-4-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;5,7-difluoro-3-[[4-[3-(4-methyl-N-(4-methylphenyl)anilino)-2-benzothiophen-1-yl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;1,4-dimethyl-5-[[7-[3-(4-methyl-N-(4-methylphenyl)anilino)-2-benzothiophen-1-yl]-2,1,3-benzothiadiazol-4-yl]imino]-2,6-dioxopyridine-3-carbonitrile;1,4-dimethyl-5-[[5-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-[2,1,3]benzothiadiazolo[7,6-g][2,1,3]benzothiadiazol-10-yl]imino]-2,6-dioxopyridine-3-carbonitrile;3-[[7-[3-(4-methyl-N-(4-methylphenyl)anilino)-2-benzothiophen-1-yl]-2,1,3-benzothiadiazol-4-yl]imino]-6-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;2-[[4-[3-(4-methyl-N-(4-methylphenyl)anilino)-2-benzothiophen-1-yl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;3-[[4-[3-(4-methyl-N-(4-methylphenyl)anilino)-2-benzothiophen-1-yl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,2-dione?

The IUPAC name of 5,6-difluoro-2-[[7-[3-(4-methyl-N-(4-methylphenyl)anilino)-2-benzothiophen-1-yl]-2,1,3-benzothiadiazol-4-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;5,7-difluoro-3-[[4-[3-(4-methyl-N-(4-methylphenyl)anilino)-2-benzothiophen-1-yl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;1,4-dimethyl-5-[[7-[3-(4-methyl-N-(4-methylphenyl)anilino)-2-benzothiophen-1-yl]-2,1,3-benzothiadiazol-4-yl]imino]-2,6-dioxopyridine-3-carbonitrile;1,4-dimethyl-5-[[5-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-[2,1,3]benzothiadiazolo[7,6-g][2,1,3]benzothiadiazol-10-yl]imino]-2,6-dioxopyridine-3-carbonitrile;3-[[7-[3-(4-methyl-N-(4-methylphenyl)anilino)-2-benzothiophen-1-yl]-2,1,3-benzothiadiazol-4-yl]imino]-6-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;2-[[4-[3-(4-methyl-N-(4-methylphenyl)anilino)-2-benzothiophen-1-yl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;3-[[4-[3-(4-methyl-N-(4-methylphenyl)anilino)-2-benzothiophen-1-yl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,2-dione (CID 164979286) is 5,6-difluoro-2-[[7-[3-(4-methyl-N-(4-methylphenyl)anilino)-2-benzothiophen-1-yl]-2,1,3-benzothiadiazol-4-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;5,7-difluoro-3-[[4-[3-(4-methyl-N-(4-methylphenyl)anilino)-2-benzothiophen-1-yl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;1,4-dimethyl-5-[[7-[3-(4-methyl-N-(4-methylphenyl)anilino)-2-benzothiophen-1-yl]-2,1,3-benzothiadiazol-4-yl]imino]-2,6-dioxopyridine-3-carbonitrile;1,4-dimethyl-5-[[5-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-[2,1,3]benzothiadiazolo[7,6-g][2,1,3]benzothiadiazol-10-yl]imino]-2,6-dioxopyridine-3-carbonitrile;3-[[7-[3-(4-methyl-N-(4-methylphenyl)anilino)-2-benzothiophen-1-yl]-2,1,3-benzothiadiazol-4-yl]imino]-6-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;2-[[4-[3-(4-methyl-N-(4-methylphenyl)anilino)-2-benzothiophen-1-yl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;3-[[4-[3-(4-methyl-N-(4-methylphenyl)anilino)-2-benzothiophen-1-yl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,2-dione.

What is the SMILES notation for 5,6-difluoro-2-[[7-[3-(4-methyl-N-(4-methylphenyl)anilino)-2-benzothiophen-1-yl]-2,1,3-benzothiadiazol-4-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;5,7-difluoro-3-[[4-[3-(4-methyl-N-(4-methylphenyl)anilino)-2-benzothiophen-1-yl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;1,4-dimethyl-5-[[7-[3-(4-methyl-N-(4-methylphenyl)anilino)-2-benzothiophen-1-yl]-2,1,3-benzothiadiazol-4-yl]imino]-2,6-dioxopyridine-3-carbonitrile;1,4-dimethyl-5-[[5-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-[2,1,3]benzothiadiazolo[7,6-g][2,1,3]benzothiadiazol-10-yl]imino]-2,6-dioxopyridine-3-carbonitrile;3-[[7-[3-(4-methyl-N-(4-methylphenyl)anilino)-2-benzothiophen-1-yl]-2,1,3-benzothiadiazol-4-yl]imino]-6-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;2-[[4-[3-(4-methyl-N-(4-methylphenyl)anilino)-2-benzothiophen-1-yl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;3-[[4-[3-(4-methyl-N-(4-methylphenyl)anilino)-2-benzothiophen-1-yl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,2-dione?

The canonical SMILES for 5,6-difluoro-2-[[7-[3-(4-methyl-N-(4-methylphenyl)anilino)-2-benzothiophen-1-yl]-2,1,3-benzothiadiazol-4-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;5,7-difluoro-3-[[4-[3-(4-methyl-N-(4-methylphenyl)anilino)-2-benzothiophen-1-yl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;1,4-dimethyl-5-[[7-[3-(4-methyl-N-(4-methylphenyl)anilino)-2-benzothiophen-1-yl]-2,1,3-benzothiadiazol-4-yl]imino]-2,6-dioxopyridine-3-carbonitrile;1,4-dimethyl-5-[[5-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-[2,1,3]benzothiadiazolo[7,6-g][2,1,3]benzothiadiazol-10-yl]imino]-2,6-dioxopyridine-3-carbonitrile;3-[[7-[3-(4-methyl-N-(4-methylphenyl)anilino)-2-benzothiophen-1-yl]-2,1,3-benzothiadiazol-4-yl]imino]-6-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;2-[[4-[3-(4-methyl-N-(4-methylphenyl)anilino)-2-benzothiophen-1-yl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;3-[[4-[3-(4-methyl-N-(4-methylphenyl)anilino)-2-benzothiophen-1-yl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,2-dione is CC1=C(C#N)C(=O)N(C)C(=O)/C1=N/c1ccc(-c2sc(N(c3ccc(C)cc3)c3ccc(C)cc3)c3ccccc23)c2nsnc12.CC1=C(C#N)C(=O)N(C)C(=O)/C1=N\c1cc2c(cc(-c3ccc(N(c4ccc(C)cc4)c4ccc(C)cc4)s3)c3nsnc32)c2nsnc12.Cc1ccc(N(c2ccc(C)cc2)c2sc(-c3ccc(/N=C4\C(=O)C(=O)C5CC(C(F)(F)F)CCC45)c4nsnc34)c3ccccc23)cc1.Cc1ccc(N(c2ccc(C)cc2)c2sc(-c3ccc(N=C4C(=O)C5CC(F)C(F)CC5C4=O)c4nsnc34)c3ccccc23)cc1.Cc1ccc(N(c2ccc(C)cc2)c2sc(-c3ncc(/N=C4\C(=O)C(=O)C5C(F)CC(F)CC45)c4nsnc34)c3ccccc23)cc1.Cc1ccc(N(c2ccc(C)cc2)c2sc(-c3ncc(/N=C4\C(=O)C(=O)C5CCCCC45)c4nsnc34)c3ccccc23)cc1.Cc1ccc(N(c2ccc(C)cc2)c2sc(-c3ncc(N=C4C(=O)C5CCCCC5C4=O)c4nsnc34)c3ccccc23)cc1.

What is the InChIKey of 5,6-difluoro-2-[[7-[3-(4-methyl-N-(4-methylphenyl)anilino)-2-benzothiophen-1-yl]-2,1,3-benzothiadiazol-4-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;5,7-difluoro-3-[[4-[3-(4-methyl-N-(4-methylphenyl)anilino)-2-benzothiophen-1-yl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;1,4-dimethyl-5-[[7-[3-(4-methyl-N-(4-methylphenyl)anilino)-2-benzothiophen-1-yl]-2,1,3-benzothiadiazol-4-yl]imino]-2,6-dioxopyridine-3-carbonitrile;1,4-dimethyl-5-[[5-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-[2,1,3]benzothiadiazolo[7,6-g][2,1,3]benzothiadiazol-10-yl]imino]-2,6-dioxopyridine-3-carbonitrile;3-[[7-[3-(4-methyl-N-(4-methylphenyl)anilino)-2-benzothiophen-1-yl]-2,1,3-benzothiadiazol-4-yl]imino]-6-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;2-[[4-[3-(4-methyl-N-(4-methylphenyl)anilino)-2-benzothiophen-1-yl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;3-[[4-[3-(4-methyl-N-(4-methylphenyl)anilino)-2-benzothiophen-1-yl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,2-dione?

The InChIKey is PYTRMFUGFBVZHM-IHFFKGLPSA-N. The full InChI is InChI=1S/C38H29F3N4O2S2.C37H28F2N4O2S2.C36H27F2N5O2S2.C36H24N8O2S3.C36H26N6O2S2.2C36H29N5O2S2/c1-20-7-12-23(13-8-20)45(24-14-9-21(2)10-15-24)37-27-6-4-3-5-26(27)36(48-37)28-17-18-30(33-31(28)43-49-44-33)42-32-25-16-11-22(38(39,40)41)19-29(25)34(46)35(32)47;1-19-7-11-21(12-8-19)43(22-13-9-20(2)10-14-22)37-24-6-4-3-5-23(24)36(46-37)25-15-16-30(32-31(25)41-47-42-32)40-33-34(44)26-17-28(38)29(39)18-27(26)35(33)45;1-18-7-11-21(12-8-18)43(22-13-9-19(2)10-14-22)36-24-6-4-3-5-23(24)35(46-36)32-31-30(41-47-42-31)27(17-39-32)40-29-25-15-20(37)16-26(38)28(25)33(44)34(29)45;1-18-5-9-21(10-6-18)44(22-11-7-19(2)8-12-22)29-14-13-28(47-29)25-15-23-24(31-33(25)41-48-39-31)16-27(34-32(23)40-49-42-34)38-30-20(3)26(17-37)35(45)43(4)36(30)46;1-20-9-13-23(14-10-20)42(24-15-11-21(2)12-16-24)36-26-8-6-5-7-25(26)33(45-36)27-17-18-29(32-31(27)39-46-40-32)38-30-22(3)28(19-37)34(43)41(4)35(30)44;1-20-11-15-22(16-12-20)41(23-17-13-21(2)14-18-23)36-27-10-6-5-9-26(27)35(44-36)31-30-29(39-45-40-30)28(19-37-31)38-32-33(42)24-7-3-4-8-25(24)34(32)43;1-20-11-15-22(16-12-20)41(23-17-13-21(2)14-18-23)36-27-10-6-5-9-26(27)35(44-36)32-31-30(39-45-40-31)28(19-37-32)38-29-24-7-3-4-8-25(24)33(42)34(29)43/h3-10,12-15,17-18,22,25,29H,11,16,19H2,1-2H3;3-16,26-29H,17-18H2,1-2H3;3-14,17,20,25-26,28H,15-16H2,1-2H3;5-16H,1-4H3;5-18H,1-4H3;2*5-6,9-19,24-25H,3-4,7-8H2,1-2H3/b42-32-;;40-29-;38-30-;38-30+;;38-29-.

What are the key properties of 5,6-difluoro-2-[[7-[3-(4-methyl-N-(4-methylphenyl)anilino)-2-benzothiophen-1-yl]-2,1,3-benzothiadiazol-4-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;5,7-difluoro-3-[[4-[3-(4-methyl-N-(4-methylphenyl)anilino)-2-benzothiophen-1-yl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;1,4-dimethyl-5-[[7-[3-(4-methyl-N-(4-methylphenyl)anilino)-2-benzothiophen-1-yl]-2,1,3-benzothiadiazol-4-yl]imino]-2,6-dioxopyridine-3-carbonitrile;1,4-dimethyl-5-[[5-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-[2,1,3]benzothiadiazolo[7,6-g][2,1,3]benzothiadiazol-10-yl]imino]-2,6-dioxopyridine-3-carbonitrile;3-[[7-[3-(4-methyl-N-(4-methylphenyl)anilino)-2-benzothiophen-1-yl]-2,1,3-benzothiadiazol-4-yl]imino]-6-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;2-[[4-[3-(4-methyl-N-(4-methylphenyl)anilino)-2-benzothiophen-1-yl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;3-[[4-[3-(4-methyl-N-(4-methylphenyl)anilino)-2-benzothiophen-1-yl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,2-dione?

5,6-difluoro-2-[[7-[3-(4-methyl-N-(4-methylphenyl)anilino)-2-benzothiophen-1-yl]-2,1,3-benzothiadiazol-4-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;5,7-difluoro-3-[[4-[3-(4-methyl-N-(4-methylphenyl)anilino)-2-benzothiophen-1-yl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;1,4-dimethyl-5-[[7-[3-(4-methyl-N-(4-methylphenyl)anilino)-2-benzothiophen-1-yl]-2,1,3-benzothiadiazol-4-yl]imino]-2,6-dioxopyridine-3-carbonitrile;1,4-dimethyl-5-[[5-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-[2,1,3]benzothiadiazolo[7,6-g][2,1,3]benzothiadiazol-10-yl]imino]-2,6-dioxopyridine-3-carbonitrile;3-[[7-[3-(4-methyl-N-(4-methylphenyl)anilino)-2-benzothiophen-1-yl]-2,1,3-benzothiadiazol-4-yl]imino]-6-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;2-[[4-[3-(4-methyl-N-(4-methylphenyl)anilino)-2-benzothiophen-1-yl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;3-[[4-[3-(4-methyl-N-(4-methylphenyl)anilino)-2-benzothiophen-1-yl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,2-dione has a molecular weight of 4612.58 g/mol, XLogP of 64.36, 35 rotatable bonds, 0 hydrogen bond donors, and 64 hydrogen bond acceptors.

Where does this data come from?

All data for 5,6-difluoro-2-[[7-[3-(4-methyl-N-(4-methylphenyl)anilino)-2-benzothiophen-1-yl]-2,1,3-benzothiadiazol-4-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;5,7-difluoro-3-[[4-[3-(4-methyl-N-(4-methylphenyl)anilino)-2-benzothiophen-1-yl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;1,4-dimethyl-5-[[7-[3-(4-methyl-N-(4-methylphenyl)anilino)-2-benzothiophen-1-yl]-2,1,3-benzothiadiazol-4-yl]imino]-2,6-dioxopyridine-3-carbonitrile;1,4-dimethyl-5-[[5-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-[2,1,3]benzothiadiazolo[7,6-g][2,1,3]benzothiadiazol-10-yl]imino]-2,6-dioxopyridine-3-carbonitrile;3-[[7-[3-(4-methyl-N-(4-methylphenyl)anilino)-2-benzothiophen-1-yl]-2,1,3-benzothiadiazol-4-yl]imino]-6-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;2-[[4-[3-(4-methyl-N-(4-methylphenyl)anilino)-2-benzothiophen-1-yl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;3-[[4-[3-(4-methyl-N-(4-methylphenyl)anilino)-2-benzothiophen-1-yl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,2-dione is sourced from PubChem (CID 164979286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).