C147H97N21 — CID 159312458
2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazine;2-phenyl-4,6-bis[3-[3-(2-pyridin-2-ylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[3-[3-(5-pyridin-3-yl-2-pyridinyl)phenyl]phenyl]-1,3,5-triazine (PubChem CID 159312458) has the molecular formula C147H97N21 and a molecular weight of 2157.54 g/mol. Its IUPAC name is 2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazine;2-phenyl-4,6-bis[3-[3-(2-pyridin-2-ylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[3-[3-(5-pyridin-3-yl-2-pyridinyl)phenyl]phenyl]-1,3,5-triazine.
| Compound Name | 2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazine;2-phenyl-4,6-bis[3-[3-(2-pyridin-2-ylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[3-[3-(5-pyridin-3-yl-2-pyridinyl)phenyl]phenyl]-1,3,5-triazine |
|---|---|
| PubChem CID | 159312458 |
| Molecular Formula | C147H97N21 |
| Molecular Weight | 2157.54 g/mol |
| Exact Mass | 2155.82 |
| IUPAC Name | 2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazine;2-phenyl-4,6-bis[3-[3-(2-pyridin-2-ylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[3-[3-(5-pyridin-3-yl-2-pyridinyl)phenyl]phenyl]-1,3,5-triazine |
| SMILES | c1ccc(-c2nc(-c3cccc(-c4cccc(-c5ccc(-c6cccnc6)cn5)c4)c3)nc(-c3cccc(-c4cccc(-c5ccc(-c6cccnc6)cn5)c4)c3)n2)cc1.c1ccc(-c2nc(-c3cccc(-c4cccc(-c5ccccc5-c5ccccn5)c4)c3)nc(-c3cccc(-c4cccc(-c5ccccc5-c5ccccn5)c4)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3nc(-c4ccccc4)nc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)n3)n2)cc1 |
| InChI | InChI=1S/C55H37N5.C53H35N7.C39H25N9/c1-2-16-38(17-3-1)53-58-54(45-24-14-20-41(36-45)39-18-12-22-43(34-39)47-26-4-6-28-49(47)51-30-8-10-32-56-51)60-55(59-53)46-25-15-21-42(37-46)40-19-13-23-44(35-40)48-27-5-7-29-50(48)52-31-9-11-33-57-52;1-2-10-36(11-3-1)51-58-52(43-18-6-14-39(30-43)37-12-4-16-41(28-37)49-24-22-47(34-56-49)45-20-8-26-54-32-45)60-53(59-51)44-19-7-15-40(31-44)38-13-5-17-42(29-38)50-25-23-48(35-57-50)46-21-9-27-55-33-46;1-6-16-26(17-7-1)31-40-32(27-18-8-2-9-19-27)43-36(42-31)38-46-35(30-24-14-5-15-25-30)47-39(48-38)37-44-33(28-20-10-3-11-21-28)41-34(45-37)29-22-12-4-13-23-29/h1-37H;1-35H;1-25H |
| InChIKey | LCSJGANMDWYKSQ-UHFFFAOYSA-N |
| XLogP | 34.03 |
| TPSA | 270.69 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 21 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 168 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2157.54 |
| LogP ≤ 5 | 34.03 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 21 |