C171H111N15 — CID 160597833
3-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-2-yl)-9-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole (PubChem CID 160597833) has the molecular formula C171H111N15 and a molecular weight of 2375.87 g/mol. Its IUPAC name is 3-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-2-yl)-9-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole.
| Compound Name | 3-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-2-yl)-9-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole |
|---|---|
| PubChem CID | 160597833 |
| Molecular Formula | C171H111N15 |
| Molecular Weight | 2375.87 g/mol |
| Exact Mass | 2373.91 |
| IUPAC Name | 3-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-2-yl)-9-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole |
| SMILES | c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)c4)n3)cc2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc(-n5c6ccccc6c6cc(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)ccc65)c4)n3)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)c4)c3)n2)cc1 |
| InChI | InChI=1S/3C57H37N5/c1-4-16-38(17-5-1)55-58-56(39-18-6-2-7-19-39)60-57(59-55)44-22-14-20-40(34-44)41-21-15-25-46(35-41)62-52-29-13-11-27-48(52)50-37-43(31-33-54(50)62)42-30-32-53-49(36-42)47-26-10-12-28-51(47)61(53)45-23-8-3-9-24-45;1-4-16-38(17-5-1)40-20-14-21-43(34-40)56-58-55(39-18-6-2-7-19-39)59-57(60-56)44-22-15-25-46(35-44)62-52-29-13-11-27-48(52)50-36-41(31-33-53(50)62)42-30-32-49-47-26-10-12-28-51(47)61(54(49)37-42)45-23-8-3-9-24-45;1-4-15-38(16-5-1)39-27-29-41(30-28-39)56-58-55(40-17-6-2-7-18-40)59-57(60-56)44-19-14-22-46(35-44)62-52-26-13-11-24-48(52)50-37-43(32-34-54(50)62)42-31-33-53-49(36-42)47-23-10-12-25-51(47)61(53)45-20-8-3-9-21-45/h3*1-37H |
| InChIKey | RDWIWOCHEMVSKC-UHFFFAOYSA-N |
| XLogP | 43.20 |
| TPSA | 145.59 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 186 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2375.87 |
| LogP ≤ 5 | 43.20 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 15 |