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

C237H189F5N36O11S18 — CID 164956836

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

5,6-difluoro-2-[[7-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-2,1,3-benzothiadiazol-4-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;3-ethyl-5-[[7-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-2,1,3-benzothiadiazol-4-yl]imino]-2-sulfanylidene-1,3-thiazolidin-4-one;1-isocyano-N-[4-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]methanimidoyl cyanide;1-[[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,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-2,3-dione;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]-6-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;1-[[7-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-2,1,3-benzothiadiazol-4-yl]imino]-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-2,3-dione;3-[[7-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-2,1,3-benzothiadiazol-4-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,2-dione (PubChem CID 164956836) has the molecular formula C237H189F5N36O11S18 and a molecular weight of 4389.56 g/mol. Its IUPAC name is 5,6-difluoro-2-[[7-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-2,1,3-benzothiadiazol-4-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;3-ethyl-5-[[7-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-2,1,3-benzothiadiazol-4-yl]imino]-2-sulfanylidene-1,3-thiazolidin-4-one;1-isocyano-N-[4-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]methanimidoyl cyanide;1-[[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,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-2,3-dione;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]-6-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;1-[[7-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-2,1,3-benzothiadiazol-4-yl]imino]-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-2,3-dione;3-[[7-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-2,1,3-benzothiadiazol-4-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,2-dione.

Molecular Properties

• Compound Name: 5,6-difluoro-2-[[7-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-2,1,3-benzothiadiazol-4-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;3-ethyl-5-[[7-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-2,1,3-benzothiadiazol-4-yl]imino]-2-sulfanylidene-1,3-thiazolidin-4-one;1-isocyano-N-[4-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]methanimidoyl cyanide;1-[[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,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-2,3-dione;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]-6-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;1-[[7-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-2,1,3-benzothiadiazol-4-yl]imino]-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-2,3-dione;3-[[7-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-2,1,3-benzothiadiazol-4-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,2-dione
• PubChem CID: 164956836
• Molecular Formula: C237H189F5N36O11S18
• Molecular Weight: 4389.56 g/mol
• Exact Mass: 4385.02
• IUPAC Name: 5,6-difluoro-2-[[7-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-2,1,3-benzothiadiazol-4-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;3-ethyl-5-[[7-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-2,1,3-benzothiadiazol-4-yl]imino]-2-sulfanylidene-1,3-thiazolidin-4-one;1-isocyano-N-[4-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]methanimidoyl cyanide;1-[[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,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-2,3-dione;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]-6-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;1-[[7-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-2,1,3-benzothiadiazol-4-yl]imino]-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-2,3-dione;3-[[7-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-2,1,3-benzothiadiazol-4-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,2-dione
• SMILES: CCN1C(=O)/C(=N\c2ccc(-c3ccc(N(c4ccc(C)cc4)c4ccc(C)cc4)s3)c3nsnc23)SC1=S.Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3cc4c(cc(/N=C5\C(=O)C(=O)C6CC(C(F)(F)F)CCC56)c5nsnc54)c4nsnc34)s2)cc1.Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3cc4c(cc(/N=C5\C(=O)C(=O)C6CC7CCCCC7CC56)c5nsnc54)c4nsnc34)s2)cc1.Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc(/N=C4\C(=O)C(=O)C5CC6CCCCC6CC45)c4nsnc34)s2)cc1.Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc(/N=C4\C(=O)C(=O)C5CCCCC45)c4nsnc34)s2)cc1.Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc(N=C4C(=O)C5CC(F)C(F)CC5C4=O)c4nsnc34)s2)cc1.[C-]#[N+]/C(C#N)=N/c1cnc(-c2ccc(N(c3ccc(C)cc3)c3ccc(C)cc3)s2)c2nsnc12
• InChI: InChI=1S/C41H34N6O2S3.C38H27F3N6O2S3.C37H34N4O2S2.C33H26F2N4O2S2.C33H28N4O2S2.C29H23N5OS4.C26H17N7S2/c1-21-7-11-25(12-8-21)47(26-13-9-22(2)10-14-26)34-16-15-33(50-34)31-19-28-29(35-37(31)45-51-43-35)20-32(39-36(28)44-52-46-39)42-38-27-17-23-5-3-4-6-24(23)18-30(27)40(48)41(38)49;1-18-3-8-21(9-4-18)47(22-10-5-19(2)6-11-22)30-14-13-29(50-30)27-16-24-25(31-33(27)45-51-43-31)17-28(35-32(24)44-52-46-35)42-34-23-12-7-20(38(39,40)41)15-26(23)36(48)37(34)49;1-21-7-11-25(12-8-21)41(26-13-9-22(2)10-14-26)32-18-17-31(44-32)27-15-16-30(35-33(27)39-45-40-35)38-34-28-19-23-5-3-4-6-24(23)20-29(28)36(42)37(34)43;1-17-3-7-19(8-4-17)39(20-9-5-18(2)6-10-20)28-14-13-27(42-28)21-11-12-26(30-29(21)37-43-38-30)36-31-32(40)22-15-24(34)25(35)16-23(22)33(31)41;1-19-7-11-21(12-8-19)37(22-13-9-20(2)10-14-22)28-18-17-27(40-28)25-15-16-26(31-29(25)35-41-36-31)34-30-23-5-3-4-6-24(23)32(38)33(30)39;1-4-33-28(35)27(38-29(33)36)30-22-14-13-21(25-26(22)32-39-31-25)23-15-16-24(37-23)34(19-9-5-17(2)6-10-19)20-11-7-18(3)8-12-20;1-16-4-8-18(9-5-16)33(19-10-6-17(2)7-11-19)23-13-12-21(34-23)25-26-24(31-35-32-26)20(15-29-25)30-22(14-27)28-3/h7-16,19-20,23-24,27,30H,3-6,17-18H2,1-2H3;3-6,8-11,13-14,16-17,20,23,26H,7,12,15H2,1-2H3;7-18,23-24,28-29H,3-6,19-20H2,1-2H3;3-14,22-25H,15-16H2,1-2H3;7-18,23-24H,3-6H2,1-2H3;5-16H,4H2,1-3H3;4-13,15H,1-2H3/b42-38-;42-34-;38-34-;;34-30-;30-27+;30-22+
• InChIKey: HEERVUWMFGZTIN-KQNGPJKYSA-N
• XLogP: 63.53
• TPSA: 573.27 Ų
• H-Bond Acceptors: 63
• Rotatable Bonds: 36
• Heavy Atoms: 307
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4389.56
LogP ≤ 5	63.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	63

Frequently Asked Questions

What is the IUPAC name of 5,6-difluoro-2-[[7-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-2,1,3-benzothiadiazol-4-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;3-ethyl-5-[[7-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-2,1,3-benzothiadiazol-4-yl]imino]-2-sulfanylidene-1,3-thiazolidin-4-one;1-isocyano-N-[4-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]methanimidoyl cyanide;1-[[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,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-2,3-dione;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]-6-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;1-[[7-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-2,1,3-benzothiadiazol-4-yl]imino]-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-2,3-dione;3-[[7-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-2,1,3-benzothiadiazol-4-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,2-dione?

The IUPAC name of 5,6-difluoro-2-[[7-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-2,1,3-benzothiadiazol-4-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;3-ethyl-5-[[7-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-2,1,3-benzothiadiazol-4-yl]imino]-2-sulfanylidene-1,3-thiazolidin-4-one;1-isocyano-N-[4-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]methanimidoyl cyanide;1-[[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,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-2,3-dione;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]-6-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;1-[[7-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-2,1,3-benzothiadiazol-4-yl]imino]-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-2,3-dione;3-[[7-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-2,1,3-benzothiadiazol-4-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,2-dione (CID 164956836) is 5,6-difluoro-2-[[7-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-2,1,3-benzothiadiazol-4-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;3-ethyl-5-[[7-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-2,1,3-benzothiadiazol-4-yl]imino]-2-sulfanylidene-1,3-thiazolidin-4-one;1-isocyano-N-[4-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]methanimidoyl cyanide;1-[[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,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-2,3-dione;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]-6-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;1-[[7-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-2,1,3-benzothiadiazol-4-yl]imino]-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-2,3-dione;3-[[7-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-2,1,3-benzothiadiazol-4-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,2-dione.

What is the SMILES notation for 5,6-difluoro-2-[[7-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-2,1,3-benzothiadiazol-4-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;3-ethyl-5-[[7-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-2,1,3-benzothiadiazol-4-yl]imino]-2-sulfanylidene-1,3-thiazolidin-4-one;1-isocyano-N-[4-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]methanimidoyl cyanide;1-[[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,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-2,3-dione;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]-6-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;1-[[7-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-2,1,3-benzothiadiazol-4-yl]imino]-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-2,3-dione;3-[[7-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-2,1,3-benzothiadiazol-4-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,2-dione?

The canonical SMILES for 5,6-difluoro-2-[[7-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-2,1,3-benzothiadiazol-4-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;3-ethyl-5-[[7-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-2,1,3-benzothiadiazol-4-yl]imino]-2-sulfanylidene-1,3-thiazolidin-4-one;1-isocyano-N-[4-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]methanimidoyl cyanide;1-[[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,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-2,3-dione;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]-6-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;1-[[7-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-2,1,3-benzothiadiazol-4-yl]imino]-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-2,3-dione;3-[[7-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-2,1,3-benzothiadiazol-4-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,2-dione is CCN1C(=O)/C(=N\c2ccc(-c3ccc(N(c4ccc(C)cc4)c4ccc(C)cc4)s3)c3nsnc23)SC1=S.Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3cc4c(cc(/N=C5\C(=O)C(=O)C6CC(C(F)(F)F)CCC56)c5nsnc54)c4nsnc34)s2)cc1.Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3cc4c(cc(/N=C5\C(=O)C(=O)C6CC7CCCCC7CC56)c5nsnc54)c4nsnc34)s2)cc1.Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc(/N=C4\C(=O)C(=O)C5CC6CCCCC6CC45)c4nsnc34)s2)cc1.Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc(/N=C4\C(=O)C(=O)C5CCCCC45)c4nsnc34)s2)cc1.Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc(N=C4C(=O)C5CC(F)C(F)CC5C4=O)c4nsnc34)s2)cc1.[C-]#[N+]/C(C#N)=N/c1cnc(-c2ccc(N(c3ccc(C)cc3)c3ccc(C)cc3)s2)c2nsnc12.

What is the InChIKey of 5,6-difluoro-2-[[7-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-2,1,3-benzothiadiazol-4-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;3-ethyl-5-[[7-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-2,1,3-benzothiadiazol-4-yl]imino]-2-sulfanylidene-1,3-thiazolidin-4-one;1-isocyano-N-[4-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]methanimidoyl cyanide;1-[[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,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-2,3-dione;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]-6-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;1-[[7-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-2,1,3-benzothiadiazol-4-yl]imino]-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-2,3-dione;3-[[7-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-2,1,3-benzothiadiazol-4-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,2-dione?

The InChIKey is HEERVUWMFGZTIN-KQNGPJKYSA-N. The full InChI is InChI=1S/C41H34N6O2S3.C38H27F3N6O2S3.C37H34N4O2S2.C33H26F2N4O2S2.C33H28N4O2S2.C29H23N5OS4.C26H17N7S2/c1-21-7-11-25(12-8-21)47(26-13-9-22(2)10-14-26)34-16-15-33(50-34)31-19-28-29(35-37(31)45-51-43-35)20-32(39-36(28)44-52-46-39)42-38-27-17-23-5-3-4-6-24(23)18-30(27)40(48)41(38)49;1-18-3-8-21(9-4-18)47(22-10-5-19(2)6-11-22)30-14-13-29(50-30)27-16-24-25(31-33(27)45-51-43-31)17-28(35-32(24)44-52-46-35)42-34-23-12-7-20(38(39,40)41)15-26(23)36(48)37(34)49;1-21-7-11-25(12-8-21)41(26-13-9-22(2)10-14-26)32-18-17-31(44-32)27-15-16-30(35-33(27)39-45-40-35)38-34-28-19-23-5-3-4-6-24(23)20-29(28)36(42)37(34)43;1-17-3-7-19(8-4-17)39(20-9-5-18(2)6-10-20)28-14-13-27(42-28)21-11-12-26(30-29(21)37-43-38-30)36-31-32(40)22-15-24(34)25(35)16-23(22)33(31)41;1-19-7-11-21(12-8-19)37(22-13-9-20(2)10-14-22)28-18-17-27(40-28)25-15-16-26(31-29(25)35-41-36-31)34-30-23-5-3-4-6-24(23)32(38)33(30)39;1-4-33-28(35)27(38-29(33)36)30-22-14-13-21(25-26(22)32-39-31-25)23-15-16-24(37-23)34(19-9-5-17(2)6-10-19)20-11-7-18(3)8-12-20;1-16-4-8-18(9-5-16)33(19-10-6-17(2)7-11-19)23-13-12-21(34-23)25-26-24(31-35-32-26)20(15-29-25)30-22(14-27)28-3/h7-16,19-20,23-24,27,30H,3-6,17-18H2,1-2H3;3-6,8-11,13-14,16-17,20,23,26H,7,12,15H2,1-2H3;7-18,23-24,28-29H,3-6,19-20H2,1-2H3;3-14,22-25H,15-16H2,1-2H3;7-18,23-24H,3-6H2,1-2H3;5-16H,4H2,1-3H3;4-13,15H,1-2H3/b42-38-;42-34-;38-34-;;34-30-;30-27+;30-22+.

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

5,6-difluoro-2-[[7-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-2,1,3-benzothiadiazol-4-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;3-ethyl-5-[[7-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-2,1,3-benzothiadiazol-4-yl]imino]-2-sulfanylidene-1,3-thiazolidin-4-one;1-isocyano-N-[4-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]methanimidoyl cyanide;1-[[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,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-2,3-dione;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]-6-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;1-[[7-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-2,1,3-benzothiadiazol-4-yl]imino]-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-2,3-dione;3-[[7-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-2,1,3-benzothiadiazol-4-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,2-dione has a molecular weight of 4389.56 g/mol, XLogP of 63.53, 36 rotatable bonds, 0 hydrogen bond donors, and 63 hydrogen bond acceptors.

Where does this data come from?

All data for 5,6-difluoro-2-[[7-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-2,1,3-benzothiadiazol-4-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;3-ethyl-5-[[7-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-2,1,3-benzothiadiazol-4-yl]imino]-2-sulfanylidene-1,3-thiazolidin-4-one;1-isocyano-N-[4-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]methanimidoyl cyanide;1-[[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,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-2,3-dione;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]-6-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;1-[[7-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-2,1,3-benzothiadiazol-4-yl]imino]-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-2,3-dione;3-[[7-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-2,1,3-benzothiadiazol-4-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,2-dione is sourced from PubChem (CID 164956836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).