C158H100F8N12 — CID 160510215
2,4-bis(4-fluorophenyl)-6-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-1,3,5-triazine;2,4-bis(4-fluorophenyl)-6-[4-[3-(7-phenylnaphthalen-2-yl)phenyl]phenyl]-1,3,5-triazine;2,4-bis(4-fluorophenyl)-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2,4-bis(4-fluorophenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine (PubChem CID 160510215) has the molecular formula C158H100F8N12 and a molecular weight of 2318.61 g/mol. Its IUPAC name is 2,4-bis(4-fluorophenyl)-6-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-1,3,5-triazine;2,4-bis(4-fluorophenyl)-6-[4-[3-(7-phenylnaphthalen-2-yl)phenyl]phenyl]-1,3,5-triazine;2,4-bis(4-fluorophenyl)-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2,4-bis(4-fluorophenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine.
| Compound Name | 2,4-bis(4-fluorophenyl)-6-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-1,3,5-triazine;2,4-bis(4-fluorophenyl)-6-[4-[3-(7-phenylnaphthalen-2-yl)phenyl]phenyl]-1,3,5-triazine;2,4-bis(4-fluorophenyl)-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2,4-bis(4-fluorophenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine |
|---|---|
| PubChem CID | 160510215 |
| Molecular Formula | C158H100F8N12 |
| Molecular Weight | 2318.61 g/mol |
| Exact Mass | 2316.81 |
| IUPAC Name | 2,4-bis(4-fluorophenyl)-6-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-1,3,5-triazine;2,4-bis(4-fluorophenyl)-6-[4-[3-(7-phenylnaphthalen-2-yl)phenyl]phenyl]-1,3,5-triazine;2,4-bis(4-fluorophenyl)-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2,4-bis(4-fluorophenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine |
| SMILES | Fc1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(-c4cccc(-c5ccc6ccc(-c7ccccc7)cc6c5)c4)cc3)n2)cc1.Fc1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(-c4cccc(-c5cccc(-c6ccc7ccccc7c6)c5)c4)cc3)n2)cc1.Fc1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(-c4cccc(-c5cccc(-c6ccccc6)c5)c4)cc3)n2)cc1.Fc1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3cccc(-c4ccc(-c5ccccc5)cc4)c3)n2)cc1 |
| InChI | InChI=1S/2C43H27F2N3.C39H25F2N3.C33H21F2N3/c44-39-21-17-31(18-22-39)42-46-41(47-43(48-42)32-19-23-40(45)24-20-32)30-14-11-29(12-15-30)34-7-3-8-35(25-34)36-9-4-10-37(27-36)38-16-13-28-5-1-2-6-33(28)26-38;44-39-21-17-32(18-22-39)42-46-41(47-43(48-42)33-19-23-40(45)24-20-33)31-13-9-29(10-14-31)34-7-4-8-35(25-34)37-16-12-30-11-15-36(26-38(30)27-37)28-5-2-1-3-6-28;40-35-20-16-29(17-21-35)38-42-37(43-39(44-38)30-18-22-36(41)23-19-30)28-14-12-27(13-15-28)32-9-5-11-34(25-32)33-10-4-8-31(24-33)26-6-2-1-3-7-26;34-29-17-13-25(14-18-29)31-36-32(26-15-19-30(35)20-16-26)38-33(37-31)28-8-4-7-27(21-28)24-11-9-23(10-12-24)22-5-2-1-3-6-22/h2*1-27H;1-25H;1-21H |
| InChIKey | QSYITLDOECEIBC-UHFFFAOYSA-N |
| XLogP | 41.25 |
| TPSA | 154.68 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 23 |
| Heavy Atoms | 178 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2318.61 |
| LogP ≤ 5 | 41.25 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |