C125H79N15 — CID 161219617
3-[4-[4-naphthalen-1-yl-6-(4-quinolin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline;3-[4-[4-naphthalen-2-yl-6-(4-quinolin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline;3-[4-[4-phenyl-6-(4-quinolin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline (PubChem CID 161219617) has the molecular formula C125H79N15 and a molecular weight of 1791.11 g/mol. Its IUPAC name is 3-[4-[4-naphthalen-1-yl-6-(4-quinolin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline;3-[4-[4-naphthalen-2-yl-6-(4-quinolin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline;3-[4-[4-phenyl-6-(4-quinolin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline.
| Compound Name | 3-[4-[4-naphthalen-1-yl-6-(4-quinolin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline;3-[4-[4-naphthalen-2-yl-6-(4-quinolin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline;3-[4-[4-phenyl-6-(4-quinolin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline |
|---|---|
| PubChem CID | 161219617 |
| Molecular Formula | C125H79N15 |
| Molecular Weight | 1791.11 g/mol |
| Exact Mass | 1789.66 |
| IUPAC Name | 3-[4-[4-naphthalen-1-yl-6-(4-quinolin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline;3-[4-[4-naphthalen-2-yl-6-(4-quinolin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline;3-[4-[4-phenyl-6-(4-quinolin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline |
| SMILES | c1ccc(-c2nc(-c3ccc(-c4cnc5ccccc5c4)cc3)nc(-c3ccc(-c4cnc5ccccc5c4)cc3)n2)cc1.c1ccc2cc(-c3nc(-c4ccc(-c5cnc6ccccc6c5)cc4)nc(-c4ccc(-c5cnc6ccccc6c5)cc4)n3)ccc2c1.c1ccc2ncc(-c3ccc(-c4nc(-c5ccc(-c6cnc7ccccc7c6)cc5)nc(-c5cccc6ccccc56)n4)cc3)cc2c1 |
| InChI | InChI=1S/2C43H27N5.C39H25N5/c1-4-12-37-30(8-1)11-7-13-38(37)43-47-41(31-20-16-28(17-21-31)35-24-33-9-2-5-14-39(33)44-26-35)46-42(48-43)32-22-18-29(19-23-32)36-25-34-10-3-6-15-40(34)45-27-36;1-2-8-33-23-36(22-17-28(33)7-1)43-47-41(31-18-13-29(14-19-31)37-24-34-9-3-5-11-39(34)44-26-37)46-42(48-43)32-20-15-30(16-21-32)38-25-35-10-4-6-12-40(35)45-27-38;1-2-8-28(9-3-1)37-42-38(29-18-14-26(15-19-29)33-22-31-10-4-6-12-35(31)40-24-33)44-39(43-37)30-20-16-27(17-21-30)34-23-32-11-5-7-13-36(32)41-25-34/h2*1-27H;1-25H |
| InChIKey | UXIJIQWBBWSOGV-UHFFFAOYSA-N |
| XLogP | 30.22 |
| TPSA | 193.35 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 15 |
| Heavy Atoms | 140 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1791.11 |
| LogP ≤ 5 | 30.22 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 15 |