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

C202H144F5N39O9S18 — CID 164981111

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

5,7-difluoro-3-[[5-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-[2,1,3]benzothiadiazolo[4,5-g][2,1,3]benzothiadiazol-10-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;1,4-dimethyl-5-[[7-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-2,6-dioxopyridine-3-carbonitrile;3-ethyl-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-sulfanylidene-1,3-thiazolidin-4-one;1-isocyano-N-[5-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-[2,1,3]benzothiadiazolo[7,6-g][2,1,3]benzothiadiazol-10-yl]methanimidoyl cyanide;3-[[5-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-[2,1,3]benzothiadiazolo[4,5-g][2,1,3]benzothiadiazol-10-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;3-[[7-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-6-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydroindene-1,2-dione (PubChem CID 164981111) has the molecular formula C202H144F5N39O9S18 and a molecular weight of 3933.83 g/mol. Its IUPAC name is 5,7-difluoro-3-[[5-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-[2,1,3]benzothiadiazolo[4,5-g][2,1,3]benzothiadiazol-10-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;1,4-dimethyl-5-[[7-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-2,6-dioxopyridine-3-carbonitrile;3-ethyl-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-sulfanylidene-1,3-thiazolidin-4-one;1-isocyano-N-[5-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-[2,1,3]benzothiadiazolo[7,6-g][2,1,3]benzothiadiazol-10-yl]methanimidoyl cyanide;3-[[5-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-[2,1,3]benzothiadiazolo[4,5-g][2,1,3]benzothiadiazol-10-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;3-[[7-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-6-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydroindene-1,2-dione.

Molecular Properties

• Compound Name: 5,7-difluoro-3-[[5-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-[2,1,3]benzothiadiazolo[4,5-g][2,1,3]benzothiadiazol-10-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;1,4-dimethyl-5-[[7-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-2,6-dioxopyridine-3-carbonitrile;3-ethyl-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-sulfanylidene-1,3-thiazolidin-4-one;1-isocyano-N-[5-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-[2,1,3]benzothiadiazolo[7,6-g][2,1,3]benzothiadiazol-10-yl]methanimidoyl cyanide;3-[[5-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-[2,1,3]benzothiadiazolo[4,5-g][2,1,3]benzothiadiazol-10-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;3-[[7-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-6-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydroindene-1,2-dione
• PubChem CID: 164981111
• Molecular Formula: C202H144F5N39O9S18
• Molecular Weight: 3933.83 g/mol
• Exact Mass: 3929.69
• IUPAC Name: 5,7-difluoro-3-[[5-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-[2,1,3]benzothiadiazolo[4,5-g][2,1,3]benzothiadiazol-10-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;1,4-dimethyl-5-[[7-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-2,6-dioxopyridine-3-carbonitrile;3-ethyl-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-sulfanylidene-1,3-thiazolidin-4-one;1-isocyano-N-[5-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-[2,1,3]benzothiadiazolo[7,6-g][2,1,3]benzothiadiazol-10-yl]methanimidoyl cyanide;3-[[5-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-[2,1,3]benzothiadiazolo[4,5-g][2,1,3]benzothiadiazol-10-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;3-[[7-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-6-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydroindene-1,2-dione
• SMILES: CC1=C(C#N)C(=O)N(C)C(=O)/C1=N/c1ncc(-c2ccc(N(c3ccc(C)cc3)c3ccc(C)cc3)s2)c2nsnc12.CCN1C(=O)/C(=N\c2cc3c(cc(-c4ccc(N(c5ccc(C)cc5)c5ccc(C)cc5)s4)c4nsnc43)c3nsnc23)SC1=S.Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3cc4c(cc(/N=C5\C(=O)C(=O)C6C(F)CC(F)CC56)c5nsnc54)c4nsnc34)s2)cc1.Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3cc4c(cc(/N=C5\C(=O)C(=O)C6CCCCC56)c5nsnc54)c4nsnc34)s2)cc1.Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3cnc(/N=C4\C(=O)C(=O)C5CC(C(F)(F)F)CCC45)c4nsnc34)s2)cc1.[C-]#[N+]/C(C#N)=N/c1cc2c(cc(-c3ccc(N(c4ccc(C)cc4)c4ccc(C)cc4)s3)c3nsnc32)c2nsnc12
• InChI: InChI=1S/C37H26F2N6O2S3.C37H28N6O2S3.C33H26F3N5O2S2.C33H23N7OS5.C31H18N8S3.C31H23N7O2S2/c1-17-3-7-20(8-4-17)45(21-9-5-18(2)6-10-21)29-12-11-28(48-29)24-15-22-23(31-33(24)43-49-41-31)16-27(35-32(22)42-50-44-35)40-34-25-13-19(38)14-26(39)30(25)36(46)37(34)47;1-19-7-11-21(12-8-19)43(22-13-9-20(2)10-14-22)30-16-15-29(46-30)27-17-25-26(31-33(27)41-47-39-31)18-28(35-32(25)40-48-42-35)38-34-23-5-3-4-6-24(23)36(44)37(34)45;1-17-3-8-20(9-4-17)41(21-10-5-18(2)6-11-21)26-14-13-25(44-26)24-16-37-32(29-27(24)39-45-40-29)38-28-22-12-7-19(33(34,35)36)15-23(22)30(42)31(28)43;1-4-39-32(41)31(44-33(39)42)34-24-16-22-21(28-30(24)38-46-36-28)15-23(29-27(22)35-45-37-29)25-13-14-26(43-25)40(19-9-5-17(2)6-10-19)20-11-7-18(3)8-12-20;1-17-4-8-19(9-5-17)39(20-10-6-18(2)7-11-20)27-13-12-25(40-27)23-14-21-22(28-30(23)37-41-35-28)15-24(34-26(16-32)33-3)31-29(21)36-42-38-31;1-17-5-9-20(10-6-17)38(21-11-7-18(2)8-12-21)25-14-13-24(41-25)23-16-33-29(28-27(23)35-42-36-28)34-26-19(3)22(15-32)30(39)37(4)31(26)40/h3-12,15-16,19,25-26,30H,13-14H2,1-2H3;7-18,23-24H,3-6H2,1-2H3;3-6,8-11,13-14,16,19,22-23H,7,12,15H2,1-2H3;5-16H,4H2,1-3H3;4-15H,1-2H3;5-14,16H,1-4H3/b40-34-;38-34-;38-28-;34-31+;2*34-26+
• InChIKey: WODCUOHTPSVQKJ-NSVSIBSQSA-N
• XLogP: 53.53
• TPSA: 589.23 Ų
• H-Bond Acceptors: 63
• Rotatable Bonds: 31
• Heavy Atoms: 273
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3933.83
LogP ≤ 5	53.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	63

Frequently Asked Questions

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

The IUPAC name of 5,7-difluoro-3-[[5-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-[2,1,3]benzothiadiazolo[4,5-g][2,1,3]benzothiadiazol-10-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;1,4-dimethyl-5-[[7-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-2,6-dioxopyridine-3-carbonitrile;3-ethyl-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-sulfanylidene-1,3-thiazolidin-4-one;1-isocyano-N-[5-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-[2,1,3]benzothiadiazolo[7,6-g][2,1,3]benzothiadiazol-10-yl]methanimidoyl cyanide;3-[[5-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-[2,1,3]benzothiadiazolo[4,5-g][2,1,3]benzothiadiazol-10-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;3-[[7-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-6-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydroindene-1,2-dione (CID 164981111) is 5,7-difluoro-3-[[5-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-[2,1,3]benzothiadiazolo[4,5-g][2,1,3]benzothiadiazol-10-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;1,4-dimethyl-5-[[7-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-2,6-dioxopyridine-3-carbonitrile;3-ethyl-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-sulfanylidene-1,3-thiazolidin-4-one;1-isocyano-N-[5-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-[2,1,3]benzothiadiazolo[7,6-g][2,1,3]benzothiadiazol-10-yl]methanimidoyl cyanide;3-[[5-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-[2,1,3]benzothiadiazolo[4,5-g][2,1,3]benzothiadiazol-10-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;3-[[7-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-6-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydroindene-1,2-dione.

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

The canonical SMILES for 5,7-difluoro-3-[[5-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-[2,1,3]benzothiadiazolo[4,5-g][2,1,3]benzothiadiazol-10-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;1,4-dimethyl-5-[[7-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-2,6-dioxopyridine-3-carbonitrile;3-ethyl-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-sulfanylidene-1,3-thiazolidin-4-one;1-isocyano-N-[5-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-[2,1,3]benzothiadiazolo[7,6-g][2,1,3]benzothiadiazol-10-yl]methanimidoyl cyanide;3-[[5-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-[2,1,3]benzothiadiazolo[4,5-g][2,1,3]benzothiadiazol-10-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;3-[[7-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-6-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydroindene-1,2-dione is CC1=C(C#N)C(=O)N(C)C(=O)/C1=N/c1ncc(-c2ccc(N(c3ccc(C)cc3)c3ccc(C)cc3)s2)c2nsnc12.CCN1C(=O)/C(=N\c2cc3c(cc(-c4ccc(N(c5ccc(C)cc5)c5ccc(C)cc5)s4)c4nsnc43)c3nsnc23)SC1=S.Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3cc4c(cc(/N=C5\C(=O)C(=O)C6C(F)CC(F)CC56)c5nsnc54)c4nsnc34)s2)cc1.Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3cc4c(cc(/N=C5\C(=O)C(=O)C6CCCCC56)c5nsnc54)c4nsnc34)s2)cc1.Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3cnc(/N=C4\C(=O)C(=O)C5CC(C(F)(F)F)CCC45)c4nsnc34)s2)cc1.[C-]#[N+]/C(C#N)=N/c1cc2c(cc(-c3ccc(N(c4ccc(C)cc4)c4ccc(C)cc4)s3)c3nsnc32)c2nsnc12.

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

The InChIKey is WODCUOHTPSVQKJ-NSVSIBSQSA-N. The full InChI is InChI=1S/C37H26F2N6O2S3.C37H28N6O2S3.C33H26F3N5O2S2.C33H23N7OS5.C31H18N8S3.C31H23N7O2S2/c1-17-3-7-20(8-4-17)45(21-9-5-18(2)6-10-21)29-12-11-28(48-29)24-15-22-23(31-33(24)43-49-41-31)16-27(35-32(22)42-50-44-35)40-34-25-13-19(38)14-26(39)30(25)36(46)37(34)47;1-19-7-11-21(12-8-19)43(22-13-9-20(2)10-14-22)30-16-15-29(46-30)27-17-25-26(31-33(27)41-47-39-31)18-28(35-32(25)40-48-42-35)38-34-23-5-3-4-6-24(23)36(44)37(34)45;1-17-3-8-20(9-4-17)41(21-10-5-18(2)6-11-21)26-14-13-25(44-26)24-16-37-32(29-27(24)39-45-40-29)38-28-22-12-7-19(33(34,35)36)15-23(22)30(42)31(28)43;1-4-39-32(41)31(44-33(39)42)34-24-16-22-21(28-30(24)38-46-36-28)15-23(29-27(22)35-45-37-29)25-13-14-26(43-25)40(19-9-5-17(2)6-10-19)20-11-7-18(3)8-12-20;1-17-4-8-19(9-5-17)39(20-10-6-18(2)7-11-20)27-13-12-25(40-27)23-14-21-22(28-30(23)37-41-35-28)15-24(34-26(16-32)33-3)31-29(21)36-42-38-31;1-17-5-9-20(10-6-17)38(21-11-7-18(2)8-12-21)25-14-13-24(41-25)23-16-33-29(28-27(23)35-42-36-28)34-26-19(3)22(15-32)30(39)37(4)31(26)40/h3-12,15-16,19,25-26,30H,13-14H2,1-2H3;7-18,23-24H,3-6H2,1-2H3;3-6,8-11,13-14,16,19,22-23H,7,12,15H2,1-2H3;5-16H,4H2,1-3H3;4-15H,1-2H3;5-14,16H,1-4H3/b40-34-;38-34-;38-28-;34-31+;2*34-26+.

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

5,7-difluoro-3-[[5-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-[2,1,3]benzothiadiazolo[4,5-g][2,1,3]benzothiadiazol-10-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;1,4-dimethyl-5-[[7-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-2,6-dioxopyridine-3-carbonitrile;3-ethyl-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-sulfanylidene-1,3-thiazolidin-4-one;1-isocyano-N-[5-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-[2,1,3]benzothiadiazolo[7,6-g][2,1,3]benzothiadiazol-10-yl]methanimidoyl cyanide;3-[[5-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-[2,1,3]benzothiadiazolo[4,5-g][2,1,3]benzothiadiazol-10-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;3-[[7-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-6-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydroindene-1,2-dione has a molecular weight of 3933.83 g/mol, XLogP of 53.53, 31 rotatable bonds, 0 hydrogen bond donors, and 63 hydrogen bond acceptors.

Where does this data come from?

All data for 5,7-difluoro-3-[[5-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-[2,1,3]benzothiadiazolo[4,5-g][2,1,3]benzothiadiazol-10-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;1,4-dimethyl-5-[[7-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-2,6-dioxopyridine-3-carbonitrile;3-ethyl-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-sulfanylidene-1,3-thiazolidin-4-one;1-isocyano-N-[5-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-[2,1,3]benzothiadiazolo[7,6-g][2,1,3]benzothiadiazol-10-yl]methanimidoyl cyanide;3-[[5-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-[2,1,3]benzothiadiazolo[4,5-g][2,1,3]benzothiadiazol-10-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;3-[[7-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-6-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydroindene-1,2-dione is sourced from PubChem (CID 164981111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).