C174H108N24O4 — CID 159161433
2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-1-yl]-5-(9-phenylcarbazol-1-yl)-1,3,4-oxadiazole;2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-1-yl]-5-(9-phenylcarbazol-1-yl)-1,3,4-oxadiazole;2-(9-phenylcarbazol-1-yl)-5-(9-phenylcarbazol-2-yl)-1,3,4-oxadiazole;2-(9-pyridin-3-ylcarbazol-1-yl)-5-(9-pyridin-3-ylcarbazol-2-yl)-1,3,4-oxadiazole (PubChem CID 159161433) has the molecular formula C174H108N24O4 and a molecular weight of 2598.94 g/mol. Its IUPAC name is 2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-1-yl]-5-(9-phenylcarbazol-1-yl)-1,3,4-oxadiazole;2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-1-yl]-5-(9-phenylcarbazol-1-yl)-1,3,4-oxadiazole;2-(9-phenylcarbazol-1-yl)-5-(9-phenylcarbazol-2-yl)-1,3,4-oxadiazole;2-(9-pyridin-3-ylcarbazol-1-yl)-5-(9-pyridin-3-ylcarbazol-2-yl)-1,3,4-oxadiazole.
| Compound Name | 2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-1-yl]-5-(9-phenylcarbazol-1-yl)-1,3,4-oxadiazole;2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-1-yl]-5-(9-phenylcarbazol-1-yl)-1,3,4-oxadiazole;2-(9-phenylcarbazol-1-yl)-5-(9-phenylcarbazol-2-yl)-1,3,4-oxadiazole;2-(9-pyridin-3-ylcarbazol-1-yl)-5-(9-pyridin-3-ylcarbazol-2-yl)-1,3,4-oxadiazole |
|---|---|
| PubChem CID | 159161433 |
| Molecular Formula | C174H108N24O4 |
| Molecular Weight | 2598.94 g/mol |
| Exact Mass | 2596.90 |
| IUPAC Name | 2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-1-yl]-5-(9-phenylcarbazol-1-yl)-1,3,4-oxadiazole;2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-1-yl]-5-(9-phenylcarbazol-1-yl)-1,3,4-oxadiazole;2-(9-phenylcarbazol-1-yl)-5-(9-phenylcarbazol-2-yl)-1,3,4-oxadiazole;2-(9-pyridin-3-ylcarbazol-1-yl)-5-(9-pyridin-3-ylcarbazol-2-yl)-1,3,4-oxadiazole |
| SMILES | c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cccc(-c6nnc(-c7cccc8c9ccccc9n(-c9ccccc9)c78)o6)c54)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cccc(-c5nnc(-c6cccc7c8ccccc8n(-c8ccccc8)c67)o5)c43)n2)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4nnc(-c5cccc6c7ccccc7n(-c7ccccc7)c56)o4)cc32)cc1.c1cncc(-n2c3ccccc3c3ccc(-c4nnc(-c5cccc6c7ccccc7n(-c7cccnc7)c56)o4)cc32)c1 |
| InChI | InChI=1S/C53H33N7O.C47H29N7O.C38H24N4O.C36H22N6O/c1-4-17-34(18-5-1)49-54-50(35-19-6-2-7-20-35)56-51(55-49)36-21-14-24-38(33-36)60-46-32-13-11-26-40(46)42-28-16-30-44(48(42)60)53-58-57-52(61-53)43-29-15-27-41-39-25-10-12-31-45(39)59(47(41)43)37-22-8-3-9-23-37;1-4-16-30(17-5-1)43-48-44(31-18-6-2-7-19-31)50-47(49-43)54-40-29-13-11-23-34(40)36-25-15-27-38(42(36)54)46-52-51-45(55-46)37-26-14-24-35-33-22-10-12-28-39(33)53(41(35)37)32-20-8-3-9-21-32;1-3-12-26(13-4-1)41-33-20-9-7-16-28(33)30-23-22-25(24-35(30)41)37-39-40-38(43-37)32-19-11-18-31-29-17-8-10-21-34(29)42(36(31)32)27-14-5-2-6-15-27;1-3-14-31-26(10-1)28-17-16-23(20-33(28)41(31)24-8-6-18-37-21-24)35-39-40-36(43-35)30-13-5-12-29-27-11-2-4-15-32(27)42(34(29)30)25-9-7-19-38-22-25/h1-33H;1-29H;1-24H;1-22H |
| InChIKey | KKNJNPFLIYSZQI-UHFFFAOYSA-N |
| XLogP | 41.89 |
| TPSA | 298.24 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 28 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 202 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2598.94 |
| LogP ≤ 5 | 41.89 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 28 |