5,6-difluoro-2-[[5-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[2,1,3]benzothiadiazolo[4,5-g][2,1,3]benzothiadiazol-10-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;5,6-difluoro-2-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;1-isocyano-N-[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]methanimidoyl cyanide;2-[[5-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[2,1,3]benzothiadiazolo[4,5-g][2,1,3]benzothiadiazol-10-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;3-[[5-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[2,1,3]benzothiadiazolo[4,5-g][2,1,3]benzothiadiazol-10-yl]imino]-6-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;1-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-2,3-dione;3-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-6-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydroindene-1,2-dione

C253H196F10N40O12S10 — CID 164949286

About 5,6-difluoro-2-[[5-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[2,1,3]benzothiadiazolo[4,5-g][2,1,3]benzothiadiazol-10-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;5,6-difluoro-2-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;1-isocyano-N-[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]methanimidoyl cyanide;2-[[5-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[2,1,3]benzothiadiazolo[4,5-g][2,1,3]benzothiadiazol-10-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;3-[[5-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[2,1,3]benzothiadiazolo[4,5-g][2,1,3]benzothiadiazol-10-yl]imino]-6-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;1-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-2,3-dione;3-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-6-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydroindene-1,2-dione

5,6-difluoro-2-[[5-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[2,1,3]benzothiadiazolo[4,5-g][2,1,3]benzothiadiazol-10-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;5,6-difluoro-2-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;1-isocyano-N-[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]methanimidoyl cyanide;2-[[5-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[2,1,3]benzothiadiazolo[4,5-g][2,1,3]benzothiadiazol-10-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;3-[[5-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[2,1,3]benzothiadiazolo[4,5-g][2,1,3]benzothiadiazol-10-yl]imino]-6-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;1-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-2,3-dione;3-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[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 164949286) has the molecular formula C253H196F10N40O12S10 and a molecular weight of 4499.27 g/mol. Its IUPAC name is 5,6-difluoro-2-[[5-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[2,1,3]benzothiadiazolo[4,5-g][2,1,3]benzothiadiazol-10-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;5,6-difluoro-2-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;1-isocyano-N-[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]methanimidoyl cyanide;2-[[5-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[2,1,3]benzothiadiazolo[4,5-g][2,1,3]benzothiadiazol-10-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;3-[[5-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[2,1,3]benzothiadiazolo[4,5-g][2,1,3]benzothiadiazol-10-yl]imino]-6-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;1-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-2,3-dione;3-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[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: 5,6-difluoro-2-[[5-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[2,1,3]benzothiadiazolo[4,5-g][2,1,3]benzothiadiazol-10-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;5,6-difluoro-2-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;1-isocyano-N-[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]methanimidoyl cyanide;2-[[5-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[2,1,3]benzothiadiazolo[4,5-g][2,1,3]benzothiadiazol-10-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;3-[[5-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[2,1,3]benzothiadiazolo[4,5-g][2,1,3]benzothiadiazol-10-yl]imino]-6-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;1-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-2,3-dione;3-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[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: 164949286
• Molecular Formula: C253H196F10N40O12S10
• Molecular Weight: 4499.27 g/mol
• Exact Mass: 4495.30
• IUPAC Name: 5,6-difluoro-2-[[5-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[2,1,3]benzothiadiazolo[4,5-g][2,1,3]benzothiadiazol-10-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;5,6-difluoro-2-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;1-isocyano-N-[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]methanimidoyl cyanide;2-[[5-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[2,1,3]benzothiadiazolo[4,5-g][2,1,3]benzothiadiazol-10-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;3-[[5-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[2,1,3]benzothiadiazolo[4,5-g][2,1,3]benzothiadiazol-10-yl]imino]-6-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;1-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-2,3-dione;3-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-6-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydroindene-1,2-dione
• SMILES: Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3cc4c(cc(/N=C5\C(=O)C(=O)C6CC(C(F)(F)F)CCC56)c5nsnc54)c4nsnc34)cc2)cc1.Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3cc4c(cc(N=C5C(=O)C6CC(F)C(F)CC6C5=O)c5nsnc54)c4nsnc34)cc2)cc1.Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3cc4c(cc(N=C5C(=O)C6CCCCC6C5=O)c5nsnc54)c4nsnc34)cc2)cc1.Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3cnc(/N=C4\C(=O)C(=O)C5CC(C(F)(F)F)CCC45)c4nsnc34)cc2)cc1.Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3cnc(/N=C4\C(=O)C(=O)C5CC6CCCCC6CC45)c4nsnc34)cc2)cc1.Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3cnc(N=C4C(=O)C5CC(F)C(F)CC5C4=O)c4nsnc34)cc2)cc1.[C-]#[N+]/C(C#N)=N/c1ncc(-c2ccc(N(c3ccc(C)cc3)c3ccc(C)cc3)cc2)c2nsnc12
• InChI: InChI=1S/C40H29F3N6O2S2.C39H28F2N6O2S2.C39H30N6O2S2.C38H35N5O2S.C35H28F3N5O2S.C34H27F2N5O2S.C28H19N7S/c1-20-3-10-24(11-4-20)49(25-12-5-21(2)6-13-25)26-14-7-22(8-15-26)28-18-29-30(34-33(28)45-52-46-34)19-32(37-35(29)47-53-48-37)44-36-27-16-9-23(40(41,42)43)17-31(27)38(50)39(36)51;1-19-3-9-22(10-4-19)47(23-11-5-20(2)6-12-23)24-13-7-21(8-14-24)25-15-26-27(34-33(25)43-50-44-34)18-32(36-35(26)45-51-46-36)42-37-38(48)28-16-30(40)31(41)17-29(28)39(37)49;1-21-7-13-24(14-8-21)45(25-15-9-22(2)10-16-25)26-17-11-23(12-18-26)29-19-30-31(34-33(29)41-48-42-34)20-32(36-35(30)43-49-44-36)40-37-38(46)27-5-3-4-6-28(27)39(37)47;1-22-7-13-27(14-8-22)43(28-15-9-23(2)10-16-28)29-17-11-24(12-18-29)32-21-39-38(35-33(32)41-46-42-35)40-34-30-19-25-5-3-4-6-26(25)20-31(30)36(44)37(34)45;1-19-3-10-23(11-4-19)43(24-12-5-20(2)6-13-24)25-14-7-21(8-15-25)28-18-39-34(31-29(28)41-46-42-31)40-30-26-16-9-22(35(36,37)38)17-27(26)32(44)33(30)45;1-18-3-9-21(10-4-18)41(22-11-5-19(2)6-12-22)23-13-7-20(8-14-23)26-17-37-34(30-29(26)39-44-40-30)38-31-32(42)24-15-27(35)28(36)16-25(24)33(31)43;1-18-4-10-21(11-5-18)35(22-12-6-19(2)7-13-22)23-14-8-20(9-15-23)24-17-31-28(32-25(16-29)30-3)27-26(24)33-36-34-27/h3-8,10-15,18-19,23,27,31H,9,16-17H2,1-2H3;3-15,18,28-31H,16-17H2,1-2H3;7-20,27-28H,3-6H2,1-2H3;7-18,21,25-26,30-31H,3-6,19-20H2,1-2H3;3-8,10-15,18,22,26-27H,9,16-17H2,1-2H3;3-14,17,24-25,27-28H,15-16H2,1-2H3;4-15,17H,1-2H3/b44-36-;;;40-34-;40-30-;;32-25+
• InChIKey: OSKGPHJFETYNJX-WWAFCUEGSA-N
• XLogP: 62.22
• TPSA: 651.55 Ų
• H-Bond Acceptors: 61
• Rotatable Bonds: 35
• Heavy Atoms: 325
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4499.27
LogP ≤ 5	62.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	61

Frequently Asked Questions

What is the IUPAC name of 5,6-difluoro-2-[[5-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[2,1,3]benzothiadiazolo[4,5-g][2,1,3]benzothiadiazol-10-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;5,6-difluoro-2-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;1-isocyano-N-[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]methanimidoyl cyanide;2-[[5-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[2,1,3]benzothiadiazolo[4,5-g][2,1,3]benzothiadiazol-10-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;3-[[5-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[2,1,3]benzothiadiazolo[4,5-g][2,1,3]benzothiadiazol-10-yl]imino]-6-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;1-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-2,3-dione;3-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[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 5,6-difluoro-2-[[5-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[2,1,3]benzothiadiazolo[4,5-g][2,1,3]benzothiadiazol-10-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;5,6-difluoro-2-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;1-isocyano-N-[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]methanimidoyl cyanide;2-[[5-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[2,1,3]benzothiadiazolo[4,5-g][2,1,3]benzothiadiazol-10-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;3-[[5-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[2,1,3]benzothiadiazolo[4,5-g][2,1,3]benzothiadiazol-10-yl]imino]-6-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;1-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-2,3-dione;3-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-6-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydroindene-1,2-dione (CID 164949286) is 5,6-difluoro-2-[[5-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[2,1,3]benzothiadiazolo[4,5-g][2,1,3]benzothiadiazol-10-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;5,6-difluoro-2-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;1-isocyano-N-[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]methanimidoyl cyanide;2-[[5-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[2,1,3]benzothiadiazolo[4,5-g][2,1,3]benzothiadiazol-10-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;3-[[5-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[2,1,3]benzothiadiazolo[4,5-g][2,1,3]benzothiadiazol-10-yl]imino]-6-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;1-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-2,3-dione;3-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[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 5,6-difluoro-2-[[5-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[2,1,3]benzothiadiazolo[4,5-g][2,1,3]benzothiadiazol-10-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;5,6-difluoro-2-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;1-isocyano-N-[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]methanimidoyl cyanide;2-[[5-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[2,1,3]benzothiadiazolo[4,5-g][2,1,3]benzothiadiazol-10-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;3-[[5-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[2,1,3]benzothiadiazolo[4,5-g][2,1,3]benzothiadiazol-10-yl]imino]-6-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;1-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-2,3-dione;3-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[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 5,6-difluoro-2-[[5-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[2,1,3]benzothiadiazolo[4,5-g][2,1,3]benzothiadiazol-10-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;5,6-difluoro-2-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;1-isocyano-N-[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]methanimidoyl cyanide;2-[[5-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[2,1,3]benzothiadiazolo[4,5-g][2,1,3]benzothiadiazol-10-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;3-[[5-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[2,1,3]benzothiadiazolo[4,5-g][2,1,3]benzothiadiazol-10-yl]imino]-6-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;1-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-2,3-dione;3-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-6-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydroindene-1,2-dione is Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3cc4c(cc(/N=C5\C(=O)C(=O)C6CC(C(F)(F)F)CCC56)c5nsnc54)c4nsnc34)cc2)cc1.Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3cc4c(cc(N=C5C(=O)C6CC(F)C(F)CC6C5=O)c5nsnc54)c4nsnc34)cc2)cc1.Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3cc4c(cc(N=C5C(=O)C6CCCCC6C5=O)c5nsnc54)c4nsnc34)cc2)cc1.Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3cnc(/N=C4\C(=O)C(=O)C5CC(C(F)(F)F)CCC45)c4nsnc34)cc2)cc1.Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3cnc(/N=C4\C(=O)C(=O)C5CC6CCCCC6CC45)c4nsnc34)cc2)cc1.Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3cnc(N=C4C(=O)C5CC(F)C(F)CC5C4=O)c4nsnc34)cc2)cc1.[C-]#[N+]/C(C#N)=N/c1ncc(-c2ccc(N(c3ccc(C)cc3)c3ccc(C)cc3)cc2)c2nsnc12.

What is the InChIKey of 5,6-difluoro-2-[[5-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[2,1,3]benzothiadiazolo[4,5-g][2,1,3]benzothiadiazol-10-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;5,6-difluoro-2-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;1-isocyano-N-[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]methanimidoyl cyanide;2-[[5-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[2,1,3]benzothiadiazolo[4,5-g][2,1,3]benzothiadiazol-10-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;3-[[5-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[2,1,3]benzothiadiazolo[4,5-g][2,1,3]benzothiadiazol-10-yl]imino]-6-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;1-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-2,3-dione;3-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[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 OSKGPHJFETYNJX-WWAFCUEGSA-N. The full InChI is InChI=1S/C40H29F3N6O2S2.C39H28F2N6O2S2.C39H30N6O2S2.C38H35N5O2S.C35H28F3N5O2S.C34H27F2N5O2S.C28H19N7S/c1-20-3-10-24(11-4-20)49(25-12-5-21(2)6-13-25)26-14-7-22(8-15-26)28-18-29-30(34-33(28)45-52-46-34)19-32(37-35(29)47-53-48-37)44-36-27-16-9-23(40(41,42)43)17-31(27)38(50)39(36)51;1-19-3-9-22(10-4-19)47(23-11-5-20(2)6-12-23)24-13-7-21(8-14-24)25-15-26-27(34-33(25)43-50-44-34)18-32(36-35(26)45-51-46-36)42-37-38(48)28-16-30(40)31(41)17-29(28)39(37)49;1-21-7-13-24(14-8-21)45(25-15-9-22(2)10-16-25)26-17-11-23(12-18-26)29-19-30-31(34-33(29)41-48-42-34)20-32(36-35(30)43-49-44-36)40-37-38(46)27-5-3-4-6-28(27)39(37)47;1-22-7-13-27(14-8-22)43(28-15-9-23(2)10-16-28)29-17-11-24(12-18-29)32-21-39-38(35-33(32)41-46-42-35)40-34-30-19-25-5-3-4-6-26(25)20-31(30)36(44)37(34)45;1-19-3-10-23(11-4-19)43(24-12-5-20(2)6-13-24)25-14-7-21(8-15-25)28-18-39-34(31-29(28)41-46-42-31)40-30-26-16-9-22(35(36,37)38)17-27(26)32(44)33(30)45;1-18-3-9-21(10-4-18)41(22-11-5-19(2)6-12-22)23-13-7-20(8-14-23)26-17-37-34(30-29(26)39-44-40-30)38-31-32(42)24-15-27(35)28(36)16-25(24)33(31)43;1-18-4-10-21(11-5-18)35(22-12-6-19(2)7-13-22)23-14-8-20(9-15-23)24-17-31-28(32-25(16-29)30-3)27-26(24)33-36-34-27/h3-8,10-15,18-19,23,27,31H,9,16-17H2,1-2H3;3-15,18,28-31H,16-17H2,1-2H3;7-20,27-28H,3-6H2,1-2H3;7-18,21,25-26,30-31H,3-6,19-20H2,1-2H3;3-8,10-15,18,22,26-27H,9,16-17H2,1-2H3;3-14,17,24-25,27-28H,15-16H2,1-2H3;4-15,17H,1-2H3/b44-36-;;;40-34-;40-30-;;32-25+.

What are the key properties of 5,6-difluoro-2-[[5-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[2,1,3]benzothiadiazolo[4,5-g][2,1,3]benzothiadiazol-10-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;5,6-difluoro-2-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;1-isocyano-N-[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]methanimidoyl cyanide;2-[[5-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[2,1,3]benzothiadiazolo[4,5-g][2,1,3]benzothiadiazol-10-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;3-[[5-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[2,1,3]benzothiadiazolo[4,5-g][2,1,3]benzothiadiazol-10-yl]imino]-6-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;1-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-2,3-dione;3-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-6-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydroindene-1,2-dione?

5,6-difluoro-2-[[5-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[2,1,3]benzothiadiazolo[4,5-g][2,1,3]benzothiadiazol-10-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;5,6-difluoro-2-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;1-isocyano-N-[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]methanimidoyl cyanide;2-[[5-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[2,1,3]benzothiadiazolo[4,5-g][2,1,3]benzothiadiazol-10-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;3-[[5-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[2,1,3]benzothiadiazolo[4,5-g][2,1,3]benzothiadiazol-10-yl]imino]-6-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;1-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-2,3-dione;3-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[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 4499.27 g/mol, XLogP of 62.22, 35 rotatable bonds, 0 hydrogen bond donors, and 61 hydrogen bond acceptors.

Where does this data come from?

All data for 5,6-difluoro-2-[[5-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[2,1,3]benzothiadiazolo[4,5-g][2,1,3]benzothiadiazol-10-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;5,6-difluoro-2-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;1-isocyano-N-[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]methanimidoyl cyanide;2-[[5-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[2,1,3]benzothiadiazolo[4,5-g][2,1,3]benzothiadiazol-10-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;3-[[5-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[2,1,3]benzothiadiazolo[4,5-g][2,1,3]benzothiadiazol-10-yl]imino]-6-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;1-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-2,3-dione;3-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[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 164949286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).