C258H176N12 — CID 158602628
2-(3,5-diphenylphenyl)-4-[3-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazine;2-[3-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine;2-[3-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-[3-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 158602628) has the molecular formula C258H176N12 and a molecular weight of 3444.33 g/mol. Its IUPAC name is 2-(3,5-diphenylphenyl)-4-[3-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazine;2-[3-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine;2-[3-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-[3-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine.
| Compound Name | 2-(3,5-diphenylphenyl)-4-[3-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazine;2-[3-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine;2-[3-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-[3-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine |
|---|---|
| PubChem CID | 158602628 |
| Molecular Formula | C258H176N12 |
| Molecular Weight | 3444.33 g/mol |
| Exact Mass | 3441.41 |
| IUPAC Name | 2-(3,5-diphenylphenyl)-4-[3-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazine;2-[3-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine;2-[3-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-[3-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine |
| SMILES | c1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5c(-c6ccccc6)c(-c6ccccc6)c(-c6ccccc6)c(-c6ccccc6)c5-c5ccccc5)c4)n3)c2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5c(-c6ccccc6)c(-c6ccccc6)c(-c6ccccc6)c(-c6ccccc6)c5-c5ccccc5)c4)n3)cc2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5c(-c6ccccc6)c(-c6ccccc6)c(-c6ccccc6)c(-c6ccccc6)c5-c5ccccc5)c4)n3)c2)cc1.c1ccc(-c2nc(-c3cccc(-c4c(-c5ccccc5)c(-c5ccccc5)c(-c5ccccc5)c(-c5ccccc5)c4-c4ccccc4)c3)nc(-c3ccccc3-c3ccccc3)n2)cc1 |
| InChI | InChI=1S/C69H47N3.3C63H43N3/c1-9-26-48(27-10-1)58-45-59(49-28-11-2-12-29-49)47-60(46-58)69-71-67(55-40-23-8-24-41-55)70-68(72-69)57-43-25-42-56(44-57)66-64(53-36-19-6-20-37-53)62(51-32-15-4-16-33-51)61(50-30-13-3-14-31-50)63(52-34-17-5-18-35-52)65(66)54-38-21-7-22-39-54;1-8-24-44(25-9-1)51-38-22-40-53(42-51)62-64-61(50-36-20-7-21-37-50)65-63(66-62)54-41-23-39-52(43-54)60-58(48-32-16-5-17-33-48)56(46-28-12-3-13-29-46)55(45-26-10-2-11-27-45)57(47-30-14-4-15-31-47)59(60)49-34-18-6-19-35-49;1-8-25-44(26-9-1)53-41-22-23-42-54(53)63-65-61(50-37-20-7-21-38-50)64-62(66-63)52-40-24-39-51(43-52)60-58(48-33-16-5-17-34-48)56(46-29-12-3-13-30-46)55(45-27-10-2-11-28-45)57(47-31-14-4-15-32-47)59(60)49-35-18-6-19-36-49;1-8-23-44(24-9-1)45-39-41-52(42-40-45)62-64-61(51-35-20-7-21-36-51)65-63(66-62)54-38-22-37-53(43-54)60-58(49-31-16-5-17-32-49)56(47-27-12-3-13-28-47)55(46-25-10-2-11-26-46)57(48-29-14-4-15-30-48)59(60)50-33-18-6-19-34-50/h1-47H;3*1-43H |
| InChIKey | HVVFJHSCPAVLJP-UHFFFAOYSA-N |
| XLogP | 67.83 |
| TPSA | 154.68 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 41 |
| Heavy Atoms | 270 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3444.33 |
| LogP ≤ 5 | 67.83 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |