C167H111N25 — CID 158217746
9-[4-(5-phenyl-4-pyridin-3-yl-1,2,4-triazol-3-yl)phenyl]carbazole;9-[4-(5-phenyl-4-pyridin-4-yl-1,2,4-triazol-3-yl)phenyl]carbazole;9-[4-(5-phenyl-4-quinolin-3-yl-1,2,4-triazol-3-yl)phenyl]carbazole;9-[4-(5-phenyl-4-quinolin-4-yl-1,2,4-triazol-3-yl)phenyl]carbazole;9-[4-(5-phenyl-4-quinolin-6-yl-1,2,4-triazol-3-yl)phenyl]carbazole (PubChem CID 158217746) has the molecular formula C167H111N25 and a molecular weight of 2467.90 g/mol. Its IUPAC name is 9-[4-(5-phenyl-4-pyridin-3-yl-1,2,4-triazol-3-yl)phenyl]carbazole;9-[4-(5-phenyl-4-pyridin-4-yl-1,2,4-triazol-3-yl)phenyl]carbazole;9-[4-(5-phenyl-4-quinolin-3-yl-1,2,4-triazol-3-yl)phenyl]carbazole;9-[4-(5-phenyl-4-quinolin-4-yl-1,2,4-triazol-3-yl)phenyl]carbazole;9-[4-(5-phenyl-4-quinolin-6-yl-1,2,4-triazol-3-yl)phenyl]carbazole.
| Compound Name | 9-[4-(5-phenyl-4-pyridin-3-yl-1,2,4-triazol-3-yl)phenyl]carbazole;9-[4-(5-phenyl-4-pyridin-4-yl-1,2,4-triazol-3-yl)phenyl]carbazole;9-[4-(5-phenyl-4-quinolin-3-yl-1,2,4-triazol-3-yl)phenyl]carbazole;9-[4-(5-phenyl-4-quinolin-4-yl-1,2,4-triazol-3-yl)phenyl]carbazole;9-[4-(5-phenyl-4-quinolin-6-yl-1,2,4-triazol-3-yl)phenyl]carbazole |
|---|---|
| PubChem CID | 158217746 |
| Molecular Formula | C167H111N25 |
| Molecular Weight | 2467.90 g/mol |
| Exact Mass | 2465.95 |
| IUPAC Name | 9-[4-(5-phenyl-4-pyridin-3-yl-1,2,4-triazol-3-yl)phenyl]carbazole;9-[4-(5-phenyl-4-pyridin-4-yl-1,2,4-triazol-3-yl)phenyl]carbazole;9-[4-(5-phenyl-4-quinolin-3-yl-1,2,4-triazol-3-yl)phenyl]carbazole;9-[4-(5-phenyl-4-quinolin-4-yl-1,2,4-triazol-3-yl)phenyl]carbazole;9-[4-(5-phenyl-4-quinolin-6-yl-1,2,4-triazol-3-yl)phenyl]carbazole |
| SMILES | c1ccc(-c2nnc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)n2-c2ccc3ncccc3c2)cc1.c1ccc(-c2nnc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)n2-c2cccnc2)cc1.c1ccc(-c2nnc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)n2-c2ccnc3ccccc23)cc1.c1ccc(-c2nnc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)n2-c2ccncc2)cc1.c1ccc(-c2nnc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)n2-c2cnc3ccccc3c2)cc1 |
| InChI | InChI=1S/3C35H23N5.2C31H21N5/c1-2-10-24(11-3-1)34-37-38-35(40(34)33-22-23-36-30-15-7-4-14-29(30)33)25-18-20-26(21-19-25)39-31-16-8-5-12-27(31)28-13-6-9-17-32(28)39;1-2-10-24(11-3-1)34-37-38-35(40(34)28-22-26-12-4-7-15-31(26)36-23-28)25-18-20-27(21-19-25)39-32-16-8-5-13-29(32)30-14-6-9-17-33(30)39;1-2-9-24(10-3-1)34-37-38-35(40(34)28-20-21-31-26(23-28)11-8-22-36-31)25-16-18-27(19-17-25)39-32-14-6-4-12-29(32)30-13-5-7-15-33(30)39;1-2-9-22(10-3-1)30-33-34-31(36(30)25-11-8-20-32-21-25)23-16-18-24(19-17-23)35-28-14-6-4-12-26(28)27-13-5-7-15-29(27)35;1-2-8-22(9-3-1)30-33-34-31(36(30)25-18-20-32-21-19-25)23-14-16-24(17-15-23)35-28-12-6-4-10-26(28)27-11-5-7-13-29(27)35/h3*1-23H;2*1-21H |
| InChIKey | GCWHGDIJCLFKOT-UHFFFAOYSA-N |
| XLogP | 38.93 |
| TPSA | 242.65 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 25 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 192 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2467.90 |
| LogP ≤ 5 | 38.93 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 25 |