C126H84N12 — CID 157466607
2,4-diphenyl-6-[3-[3-[3-[3-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[3-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,3,5-triazine (PubChem CID 157466607) has the molecular formula C126H84N12 and a molecular weight of 1766.14 g/mol. Its IUPAC name is 2,4-diphenyl-6-[3-[3-[3-[3-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[3-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,3,5-triazine.
| Compound Name | 2,4-diphenyl-6-[3-[3-[3-[3-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[3-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,3,5-triazine |
|---|---|
| PubChem CID | 157466607 |
| Molecular Formula | C126H84N12 |
| Molecular Weight | 1766.14 g/mol |
| Exact Mass | 1764.69 |
| IUPAC Name | 2,4-diphenyl-6-[3-[3-[3-[3-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[3-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,3,5-triazine |
| SMILES | c1ccc(-c2cccc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5cccc(-c6cccc(-c7cccc(-c8cccc(-c9nc(-c%10ccccc%10)nc(-c%10ccccc%10)n9)c8)c7)c6)c5)n4)c3)c2)cc1.c1ccc(-c2cccc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5cccc(-c6cccc(-c7cccc(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)c7)c6)c5)n4)c3)c2)cc1 |
| InChI | InChI=1S/C66H44N6.C60H40N6/c1-5-19-45(20-6-1)49-27-13-28-50(39-49)55-33-16-37-59(42-55)65-70-63(48-25-11-4-12-26-48)71-66(72-65)60-38-18-35-57(44-60)54-32-15-30-52(41-54)51-29-14-31-53(40-51)56-34-17-36-58(43-56)64-68-61(46-21-7-2-8-22-46)67-62(69-64)47-23-9-3-10-24-47;1-5-18-41(19-6-1)45-26-13-27-46(36-45)49-30-15-34-53(38-49)59-64-57(44-24-11-4-12-25-44)65-60(66-59)54-35-17-32-51(40-54)48-29-14-28-47(37-48)50-31-16-33-52(39-50)58-62-55(42-20-7-2-8-21-42)61-56(63-58)43-22-9-3-10-23-43/h1-44H;1-40H |
| InChIKey | BUOBGIAXFAQWFR-UHFFFAOYSA-N |
| XLogP | 31.12 |
| TPSA | 154.68 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 138 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1766.14 |
| LogP ≤ 5 | 31.12 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |