5-[2-(2,6-dimethyl-3-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-ethyl-1,3-benzothiazole;5-[2-(2,6-dimethyl-3-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzothiazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-ethyl-1,3-benzothiazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-phenyl-1,3-benzothiazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-3-ylphenyl]-2-ethyl-1,3-benzothiazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-3-ylphenyl]-2-phenyl-1,3-benzothiazole
C228H160N28S6 — CID 158971778
Data last refreshed: (MolForge compound catalog, from PubChem)
About 5-[2-(2,6-dimethyl-3-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-ethyl-1,3-benzothiazole;5-[2-(2,6-dimethyl-3-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzothiazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-ethyl-1,3-benzothiazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-phenyl-1,3-benzothiazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-3-ylphenyl]-2-ethyl-1,3-benzothiazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-3-ylphenyl]-2-phenyl-1,3-benzothiazole
5-[2-(2,6-dimethyl-3-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-ethyl-1,3-benzothiazole;5-[2-(2,6-dimethyl-3-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzothiazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-ethyl-1,3-benzothiazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-phenyl-1,3-benzothiazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-3-ylphenyl]-2-ethyl-1,3-benzothiazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-3-ylphenyl]-2-phenyl-1,3-benzothiazole (PubChem CID 158971778) has the molecular formula C228H160N28S6 and a molecular weight of 3484.39 g/mol. Its IUPAC name is 5-[2-(2,6-dimethyl-3-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-ethyl-1,3-benzothiazole;5-[2-(2,6-dimethyl-3-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzothiazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-ethyl-1,3-benzothiazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-phenyl-1,3-benzothiazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-3-ylphenyl]-2-ethyl-1,3-benzothiazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-3-ylphenyl]-2-phenyl-1,3-benzothiazole.
Molecular Properties
| Compound Name | 5-[2-(2,6-dimethyl-3-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-ethyl-1,3-benzothiazole;5-[2-(2,6-dimethyl-3-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzothiazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-ethyl-1,3-benzothiazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-phenyl-1,3-benzothiazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-3-ylphenyl]-2-ethyl-1,3-benzothiazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-3-ylphenyl]-2-phenyl-1,3-benzothiazole |
|---|---|
| PubChem CID | 158971778 |
| Molecular Formula | C228H160N28S6 |
| Molecular Weight | 3484.39 g/mol |
| Exact Mass | 3481.17 |
| IUPAC Name | 5-[2-(2,6-dimethyl-3-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-ethyl-1,3-benzothiazole;5-[2-(2,6-dimethyl-3-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzothiazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-ethyl-1,3-benzothiazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-phenyl-1,3-benzothiazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-3-ylphenyl]-2-ethyl-1,3-benzothiazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-3-ylphenyl]-2-phenyl-1,3-benzothiazole |
| SMILES | CCc1nc2cc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3-c3ccc(C)nc3C)ccc2s1.CCc1nc2cc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3-c3ccccc3)ccc2s1.CCc1nc2cc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3-c3cccnc3)ccc2s1.Cc1ccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-c2ccc3sc(-c4ccccc4)nc3c2)c(C)n1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5sc(-c6ccccc6)nc5c4)c(-c4ccccc4)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5sc(-c6ccccc6)nc5c4)c(-c4cccnc4)c3)n2)cc1 |
| InChI | InChI=1S/C41H29N5S.C40H26N4S.C39H25N5S.C37H29N5S.C36H26N4S.C35H25N5S/c1-26-18-21-33(27(2)42-26)35-24-32(40-45-38(28-12-6-3-7-13-28)44-39(46-40)29-14-8-4-9-15-29)19-22-34(35)31-20-23-37-36(25-31)43-41(47-37)30-16-10-5-11-17-30;1-5-13-27(14-6-1)34-25-32(39-43-37(28-15-7-2-8-16-28)42-38(44-39)29-17-9-3-10-18-29)21-23-33(34)31-22-24-36-35(26-31)41-40(45-36)30-19-11-4-12-20-30;1-4-11-26(12-5-1)36-42-37(27-13-6-2-7-14-27)44-38(43-36)30-18-20-32(33(23-30)31-17-10-22-40-25-31)29-19-21-35-34(24-29)41-39(45-35)28-15-8-3-9-16-28;1-4-34-39-32-22-27(17-20-33(32)43-34)30-19-16-28(21-31(30)29-18-15-23(2)38-24(29)3)37-41-35(25-11-7-5-8-12-25)40-36(42-37)26-13-9-6-10-14-26;1-2-33-37-31-23-27(19-21-32(31)41-33)29-20-18-28(22-30(29)24-12-6-3-7-13-24)36-39-34(25-14-8-4-9-15-25)38-35(40-36)26-16-10-5-11-17-26;1-2-32-37-30-21-25(16-18-31(30)41-32)28-17-15-26(20-29(28)27-14-9-19-36-22-27)35-39-33(23-10-5-3-6-11-23)38-34(40-35)24-12-7-4-8-13-24/h3-25H,1-2H3;1-26H;1-25H;5-22H,4H2,1-3H3;3-23H,2H2,1H3;3-22H,2H2,1H3 |
| InChIKey | JNXIQQMWSTTYKA-UHFFFAOYSA-N |
| XLogP | 58.40 |
| TPSA | 360.92 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 34 |
| Rotatable Bonds | 36 |
| Heavy Atoms | 262 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3484.39 |
| LogP ≤ 5 | 58.40 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 34 |
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Sources
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