C168H111N9 — CID 164984290
3-[3-[3-(2,6-diphenyl-3-pyridinyl)-5-phenanthren-9-ylphenyl]phenyl]-2-phenylimidazo[1,2-a]pyridine;3-[3-[3-(2,6-diphenyl-4-pyridinyl)-5-phenanthren-9-ylphenyl]phenyl]-2-phenylimidazo[1,2-a]pyridine;3-[3-[3-(4,6-diphenyl-2-pyridinyl)-5-phenanthren-9-ylphenyl]phenyl]-2-phenylimidazo[1,2-a]pyridine (PubChem CID 164984290) has the molecular formula C168H111N9 and a molecular weight of 2255.80 g/mol. Its IUPAC name is 3-[3-[3-(2,6-diphenyl-3-pyridinyl)-5-phenanthren-9-ylphenyl]phenyl]-2-phenylimidazo[1,2-a]pyridine;3-[3-[3-(2,6-diphenyl-4-pyridinyl)-5-phenanthren-9-ylphenyl]phenyl]-2-phenylimidazo[1,2-a]pyridine;3-[3-[3-(4,6-diphenyl-2-pyridinyl)-5-phenanthren-9-ylphenyl]phenyl]-2-phenylimidazo[1,2-a]pyridine.
| Compound Name | 3-[3-[3-(2,6-diphenyl-3-pyridinyl)-5-phenanthren-9-ylphenyl]phenyl]-2-phenylimidazo[1,2-a]pyridine;3-[3-[3-(2,6-diphenyl-4-pyridinyl)-5-phenanthren-9-ylphenyl]phenyl]-2-phenylimidazo[1,2-a]pyridine;3-[3-[3-(4,6-diphenyl-2-pyridinyl)-5-phenanthren-9-ylphenyl]phenyl]-2-phenylimidazo[1,2-a]pyridine |
|---|---|
| PubChem CID | 164984290 |
| Molecular Formula | C168H111N9 |
| Molecular Weight | 2255.80 g/mol |
| Exact Mass | 2253.90 |
| IUPAC Name | 3-[3-[3-(2,6-diphenyl-3-pyridinyl)-5-phenanthren-9-ylphenyl]phenyl]-2-phenylimidazo[1,2-a]pyridine;3-[3-[3-(2,6-diphenyl-4-pyridinyl)-5-phenanthren-9-ylphenyl]phenyl]-2-phenylimidazo[1,2-a]pyridine;3-[3-[3-(4,6-diphenyl-2-pyridinyl)-5-phenanthren-9-ylphenyl]phenyl]-2-phenylimidazo[1,2-a]pyridine |
| SMILES | c1ccc(-c2cc(-c3cc(-c4cccc(-c5c(-c6ccccc6)nc6ccccn56)c4)cc(-c4cc5ccccc5c5ccccc45)c3)cc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-c4cccc(-c5c(-c6ccccc6)nc6ccccn56)c4)cc(-c4cc5ccccc5c5ccccc45)c3)c2)cc1.c1ccc(-c2ccc(-c3cc(-c4cccc(-c5c(-c6ccccc6)nc6ccccn56)c4)cc(-c4cc5ccccc5c5ccccc45)c3)c(-c3ccccc3)n2)cc1 |
| InChI | InChI=1S/3C56H37N3/c1-4-17-38(18-5-1)52-31-30-48(54(57-52)39-19-6-2-7-20-39)45-34-44(35-46(36-45)51-37-42-23-10-11-26-47(42)49-27-12-13-28-50(49)51)41-24-16-25-43(33-41)56-55(40-21-8-3-9-22-40)58-53-29-14-15-32-59(53)56;1-4-17-38(18-5-1)45-36-52(39-19-6-2-7-20-39)57-53(37-45)47-33-44(32-46(34-47)51-35-42-23-10-11-26-48(42)49-27-12-13-28-50(49)51)41-24-16-25-43(31-41)56-55(40-21-8-3-9-22-40)58-54-29-14-15-30-59(54)56;1-4-17-38(18-5-1)52-36-46(37-53(57-52)39-19-6-2-7-20-39)45-32-44(33-47(34-45)51-35-42-23-10-11-26-48(42)49-27-12-13-28-50(49)51)41-24-16-25-43(31-41)56-55(40-21-8-3-9-22-40)58-54-29-14-15-30-59(54)56/h3*1-37H |
| InChIKey | FXXZBCWRBBEOIK-UHFFFAOYSA-N |
| XLogP | 44.11 |
| TPSA | 90.57 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 9 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 177 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2255.80 |
| LogP ≤ 5 | 44.11 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 9 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
|---|