C209H141N11 — CID 159368312
2-[3-[3-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]phenyl]-4,6-diphenylpyrimidine;2-[3-[3-[2-(2-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-[3-[3-(2-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-[3-[3-(3-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 159368312) has the molecular formula C209H141N11 and a molecular weight of 2806.50 g/mol. Its IUPAC name is 2-[3-[3-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]phenyl]-4,6-diphenylpyrimidine;2-[3-[3-[2-(2-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-[3-[3-(2-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-[3-[3-(3-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine.
| Compound Name | 2-[3-[3-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]phenyl]-4,6-diphenylpyrimidine;2-[3-[3-[2-(2-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-[3-[3-(2-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-[3-[3-(3-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine |
|---|---|
| PubChem CID | 159368312 |
| Molecular Formula | C209H141N11 |
| Molecular Weight | 2806.50 g/mol |
| Exact Mass | 2804.14 |
| IUPAC Name | 2-[3-[3-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]phenyl]-4,6-diphenylpyrimidine;2-[3-[3-[2-(2-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-[3-[3-(2-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-[3-[3-(3-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine |
| SMILES | c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5cccc(-c6cccc(-c7ccc8ccccc8c7)c6)c5)c4)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5cccc(-c6cccc(-c7cccc(-c8cccc9ccccc89)c7)c6)c5)c4)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5cccc(-c6cccc(-c7ccccc7-c7cccc8ccccc78)c6)c5)c4)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5ccccc5-c5ccccc5-c5cccc6ccccc56)c4)c3)n2)cc1 |
| InChI | InChI=1S/2C55H37N3.C50H34N2.C49H33N3/c1-3-16-39(17-4-1)53-56-54(40-18-5-2-6-19-40)58-55(57-53)50-30-13-28-48(37-50)46-26-11-24-44(35-46)42-22-9-21-41(33-42)43-23-10-25-45(34-43)47-27-12-29-49(36-47)52-32-14-20-38-15-7-8-31-51(38)52;1-3-17-39(18-4-1)53-56-54(40-19-5-2-6-20-40)58-55(57-53)48-29-14-27-46(37-48)44-25-12-23-42(35-44)41-22-11-24-43(34-41)45-26-13-28-47(36-45)50-31-9-10-32-51(50)52-33-15-21-38-16-7-8-30-49(38)52;1-3-14-36(15-4-1)48-34-49(37-16-5-2-6-17-37)52-50(51-48)47-26-12-25-45(33-47)43-23-10-21-41(31-43)39-19-9-20-40(30-39)42-22-11-24-44(32-42)46-28-27-35-13-7-8-18-38(35)29-46;1-3-17-35(18-4-1)47-50-48(36-19-5-2-6-20-36)52-49(51-47)40-25-14-23-38(33-40)37-22-13-24-39(32-37)42-27-9-10-28-43(42)45-29-11-12-30-46(45)44-31-15-21-34-16-7-8-26-41(34)44/h2*1-37H;1-34H;1-33H |
| InChIKey | LJKIYRSWPFETFQ-UHFFFAOYSA-N |
| XLogP | 54.71 |
| TPSA | 141.79 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 11 |
| Rotatable Bonds | 30 |
| Heavy Atoms | 220 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2806.50 |
| LogP ≤ 5 | 54.71 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 11 |