C242H158N18 — CID 165099696
2,4-dinaphthalen-1-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine;2,4-dinaphthalen-1-yl-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine;2,4-dinaphthalen-1-yl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine;2,4-dinaphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazine;2-(3,5-diphenylphenyl)-4-naphthalen-2-yl-6-(3-naphthalen-2-ylphenyl)-1,3,5-triazine;2-naphthalen-2-yl-4-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 165099696) has the molecular formula C242H158N18 and a molecular weight of 3318.05 g/mol. Its IUPAC name is 2,4-dinaphthalen-1-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine;2,4-dinaphthalen-1-yl-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine;2,4-dinaphthalen-1-yl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine;2,4-dinaphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazine;2-(3,5-diphenylphenyl)-4-naphthalen-2-yl-6-(3-naphthalen-2-ylphenyl)-1,3,5-triazine;2-naphthalen-2-yl-4-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine.
| Compound Name | 2,4-dinaphthalen-1-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine;2,4-dinaphthalen-1-yl-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine;2,4-dinaphthalen-1-yl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine;2,4-dinaphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazine;2-(3,5-diphenylphenyl)-4-naphthalen-2-yl-6-(3-naphthalen-2-ylphenyl)-1,3,5-triazine;2-naphthalen-2-yl-4-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine |
|---|---|
| PubChem CID | 165099696 |
| Molecular Formula | C242H158N18 |
| Molecular Weight | 3318.05 g/mol |
| Exact Mass | 3315.29 |
| IUPAC Name | 2,4-dinaphthalen-1-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine;2,4-dinaphthalen-1-yl-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine;2,4-dinaphthalen-1-yl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine;2,4-dinaphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazine;2-(3,5-diphenylphenyl)-4-naphthalen-2-yl-6-(3-naphthalen-2-ylphenyl)-1,3,5-triazine;2-naphthalen-2-yl-4-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine |
| SMILES | c1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4cccc(-c5ccc6ccccc6c5)c4)nc(-c4ccc5ccccc5c4)n3)c2)cc1.c1ccc(-c2ccc(-c3ccc(-c4nc(-c5cccc6ccccc56)nc(-c5cccc6ccccc56)n4)cc3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccc6ccccc6c5)cc4)nc(-c4ccc5ccccc5c4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4cccc5ccccc45)nc(-c4cccc5ccccc45)n3)cc2)cc1.c1ccc2c(-c3ccc(-c4nc(-c5cccc6ccccc56)nc(-c5cccc6ccccc56)n4)cc3)cccc2c1.c1ccc2cc(-c3ccc(-c4nc(-c5cccc6ccccc56)nc(-c5cccc6ccccc56)n4)cc3)ccc2c1 |
| InChI | InChI=1S/C47H31N3.2C41H27N3.2C39H25N3.C35H23N3/c1-3-12-32(13-4-1)42-29-43(33-14-5-2-6-15-33)31-44(30-42)47-49-45(48-46(50-47)41-25-23-35-17-8-10-19-37(35)27-41)40-21-11-20-38(28-40)39-24-22-34-16-7-9-18-36(34)26-39;1-2-10-28(11-3-1)29-20-22-30(23-21-29)31-24-26-34(27-25-31)39-42-40(37-18-8-14-32-12-4-6-16-35(32)37)44-41(43-39)38-19-9-15-33-13-5-7-17-36(33)38;1-2-8-28(9-3-1)31-14-20-33(21-15-31)39-42-40(44-41(43-39)38-25-19-30-11-5-7-13-36(30)27-38)34-22-16-32(17-23-34)37-24-18-29-10-4-6-12-35(29)26-37;1-4-16-31-26(10-1)13-7-19-32(31)29-22-24-30(25-23-29)37-40-38(35-20-8-14-27-11-2-5-17-33(27)35)42-39(41-37)36-21-9-15-28-12-3-6-18-34(28)36;1-2-12-31-25-32(24-21-26(31)9-1)27-19-22-30(23-20-27)37-40-38(35-17-7-13-28-10-3-5-15-33(28)35)42-39(41-37)36-18-8-14-29-11-4-6-16-34(29)36;1-2-10-24(11-3-1)25-20-22-28(23-21-25)33-36-34(31-18-8-14-26-12-4-6-16-29(26)31)38-35(37-33)32-19-9-15-27-13-5-7-17-30(27)32/h1-31H;2*1-27H;2*1-25H;1-23H |
| InChIKey | YCQFSJUDDZNEGV-UHFFFAOYSA-N |
| XLogP | 62.05 |
| TPSA | 232.02 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 260 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3318.05 |
| LogP ≤ 5 | 62.05 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 18 |