C180H120N18 — CID 161350824
2,4-diphenyl-6-[3-[3-[3-[3-[4-phenyl-6-[4-(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-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine (PubChem CID 161350824) has the molecular formula C180H120N18 and a molecular weight of 2535.07 g/mol. Its IUPAC name is 2,4-diphenyl-6-[3-[3-[3-[3-[4-phenyl-6-[4-(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-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine.
| Compound Name | 2,4-diphenyl-6-[3-[3-[3-[3-[4-phenyl-6-[4-(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-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine |
|---|---|
| PubChem CID | 161350824 |
| Molecular Formula | C180H120N18 |
| Molecular Weight | 2535.07 g/mol |
| Exact Mass | 2532.99 |
| IUPAC Name | 2,4-diphenyl-6-[3-[3-[3-[3-[4-phenyl-6-[4-(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-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine |
| SMILES | c1ccc(-c2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5cccc(-c6cccc(-c7cccc(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)c7)c6)c5)n4)cc3)cc2)cc1.c1ccc(-c2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5cccc(-c6cccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6)c5)n4)cc3)cc2)cc1.c1ccc(-c2cccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5cccc(-c6cccc(-c7cccc(-c8cccc(-c9nc(-c%10ccccc%10)nc(-c%10ccccc%10)n9)c8)c7)c6)c5)n4)cc3)c2)cc1 |
| InChI | InChI=1S/C66H44N6.C60H40N6.C54H36N6/c1-5-18-45(19-6-1)51-26-13-27-52(40-51)46-36-38-50(39-37-46)64-68-63(49-24-11-4-12-25-49)71-66(72-64)60-35-17-33-58(44-60)56-31-15-29-54(42-56)53-28-14-30-55(41-53)57-32-16-34-59(43-57)65-69-61(47-20-7-2-8-21-47)67-62(70-65)48-22-9-3-10-23-48;1-5-16-41(17-6-1)42-30-32-43(33-31-42)44-34-36-48(37-35-44)58-62-57(47-22-11-4-12-23-47)65-60(66-58)54-29-15-27-52(40-54)50-25-13-24-49(38-50)51-26-14-28-53(39-51)59-63-55(45-18-7-2-8-19-45)61-56(64-59)46-20-9-3-10-21-46;1-5-15-37(16-6-1)38-27-29-39(30-28-38)40-31-33-44(34-32-40)52-56-51(43-21-11-4-12-22-43)59-54(60-52)48-26-14-24-46(36-48)45-23-13-25-47(35-45)53-57-49(41-17-7-2-8-18-41)55-50(58-53)42-19-9-3-10-20-42/h1-44H;1-40H;1-36H |
| InChIKey | VNXCMRNHXBBJPH-UHFFFAOYSA-N |
| XLogP | 44.18 |
| TPSA | 232.02 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 30 |
| Heavy Atoms | 198 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2535.07 |
| LogP ≤ 5 | 44.18 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 18 |