6-[4-[3-[4-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]isoquinoline;4-[6-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(3-phenylphenyl)pyrimidin-4-yl]benzonitrile;4-[6-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(4-phenylphenyl)pyrimidin-4-yl]benzonitrile;9-[2-phenyl-6-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]pyrimidin-4-yl]carbazole;6-[2-phenyl-6-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]pyrimidin-4-yl]isoquinoline
C265H172N30 — CID 163467954
Data last refreshed: (MolForge compound catalog, from PubChem)
About 6-[4-[3-[4-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]isoquinoline;4-[6-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(3-phenylphenyl)pyrimidin-4-yl]benzonitrile;4-[6-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(4-phenylphenyl)pyrimidin-4-yl]benzonitrile;9-[2-phenyl-6-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]pyrimidin-4-yl]carbazole;6-[2-phenyl-6-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]pyrimidin-4-yl]isoquinoline
6-[4-[3-[4-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]isoquinoline;4-[6-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(3-phenylphenyl)pyrimidin-4-yl]benzonitrile;4-[6-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(4-phenylphenyl)pyrimidin-4-yl]benzonitrile;9-[2-phenyl-6-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]pyrimidin-4-yl]carbazole;6-[2-phenyl-6-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]pyrimidin-4-yl]isoquinoline (PubChem CID 163467954) has the molecular formula C265H172N30 and a molecular weight of 3776.50 g/mol. Its IUPAC name is 6-[4-[3-[4-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]isoquinoline;4-[6-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(3-phenylphenyl)pyrimidin-4-yl]benzonitrile;4-[6-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(4-phenylphenyl)pyrimidin-4-yl]benzonitrile;9-[2-phenyl-6-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]pyrimidin-4-yl]carbazole;6-[2-phenyl-6-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]pyrimidin-4-yl]isoquinoline.
Molecular Properties
| Compound Name | 6-[4-[3-[4-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]isoquinoline;4-[6-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(3-phenylphenyl)pyrimidin-4-yl]benzonitrile;4-[6-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(4-phenylphenyl)pyrimidin-4-yl]benzonitrile;9-[2-phenyl-6-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]pyrimidin-4-yl]carbazole;6-[2-phenyl-6-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]pyrimidin-4-yl]isoquinoline |
|---|---|
| PubChem CID | 163467954 |
| Molecular Formula | C265H172N30 |
| Molecular Weight | 3776.50 g/mol |
| Exact Mass | 3773.44 |
| IUPAC Name | 6-[4-[3-[4-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]isoquinoline;4-[6-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(3-phenylphenyl)pyrimidin-4-yl]benzonitrile;4-[6-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(4-phenylphenyl)pyrimidin-4-yl]benzonitrile;9-[2-phenyl-6-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]pyrimidin-4-yl]carbazole;6-[2-phenyl-6-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]pyrimidin-4-yl]isoquinoline |
| SMILES | N#Cc1ccc(-c2cc(-c3ccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)cc3)nc(-c3ccc(-c4ccccc4)cc3)n2)cc1.N#Cc1ccc(-c2cc(-c3ccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)cc3)nc(-c3cccc(-c4ccccc4)c3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3cc(-c4ccc(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccc8cnccc8c7)n6)c5)cc4)nc(-c4ccccc4)n3)c2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5ccc(-c6cc(-c7ccc8cnccc8c7)nc(-c7ccccc7)n6)cc5)c4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5ccc(-c6cc(-n7c8ccccc8c8ccccc87)nc(-c7ccccc7)n6)cc5)c4)n3)cc2)cc1 |
| InChI | InChI=1S/C58H38N6.C55H36N6.C52H34N6.2C50H32N6/c1-5-14-39(15-6-1)50-34-51(40-16-7-2-8-17-40)36-52(35-50)54-37-53(60-55(61-54)43-18-9-3-10-19-43)42-26-24-41(25-27-42)45-22-13-23-47(32-45)57-62-56(44-20-11-4-12-21-44)63-58(64-57)48-28-29-49-38-59-31-30-46(49)33-48;1-4-15-37(16-5-1)38-29-33-43(34-30-38)54-58-53(42-19-8-3-9-20-42)59-55(60-54)45-22-14-21-44(35-45)39-27-31-40(32-28-39)48-36-51(57-52(56-48)41-17-6-2-7-18-41)61-49-25-12-10-23-46(49)47-24-11-13-26-50(47)61;1-4-11-35(12-5-1)36-21-25-41(26-22-36)51-56-50(40-15-8-3-9-16-40)57-52(58-51)45-18-10-17-42(32-45)37-19-23-38(24-20-37)47-33-48(55-49(54-47)39-13-6-2-7-14-39)44-27-28-46-34-53-30-29-43(46)31-44;51-33-34-22-24-37(25-23-34)45-32-46(53-49(52-45)43-20-10-18-41(30-43)35-12-4-1-5-13-35)38-28-26-36(27-29-38)42-19-11-21-44(31-42)50-55-47(39-14-6-2-7-15-39)54-48(56-50)40-16-8-3-9-17-40;51-33-34-19-21-38(22-20-34)45-32-46(53-47(52-45)42-29-25-36(26-30-42)35-11-4-1-5-12-35)39-27-23-37(24-28-39)43-17-10-18-44(31-43)50-55-48(40-13-6-2-7-14-40)54-49(56-50)41-15-8-3-9-16-41/h1-38H;1-36H;1-34H;2*1-32H |
| InChIKey | BUEYMPJIKWDTTM-UHFFFAOYSA-N |
| XLogP | 63.92 |
| TPSA | 400.54 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 30 |
| Rotatable Bonds | 41 |
| Heavy Atoms | 295 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3776.50 |
| LogP ≤ 5 | 63.92 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 30 |
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Sources
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