C216H140N4 — CID 158428092
2,6-diphenyl-4-[4-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]pyridine;2,6-diphenyl-4-[4-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]pyridine;2,6-diphenyl-4-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]pyridine;2,6-diphenyl-4-[4-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]pyridine (PubChem CID 158428092) has the molecular formula C216H140N4 and a molecular weight of 2791.52 g/mol. Its IUPAC name is 2,6-diphenyl-4-[4-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]pyridine;2,6-diphenyl-4-[4-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]pyridine;2,6-diphenyl-4-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]pyridine;2,6-diphenyl-4-[4-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]pyridine.
| Compound Name | 2,6-diphenyl-4-[4-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]pyridine;2,6-diphenyl-4-[4-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]pyridine;2,6-diphenyl-4-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]pyridine;2,6-diphenyl-4-[4-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]pyridine |
|---|---|
| PubChem CID | 158428092 |
| Molecular Formula | C216H140N4 |
| Molecular Weight | 2791.52 g/mol |
| Exact Mass | 2789.11 |
| IUPAC Name | 2,6-diphenyl-4-[4-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]pyridine;2,6-diphenyl-4-[4-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]pyridine;2,6-diphenyl-4-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]pyridine;2,6-diphenyl-4-[4-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]pyridine |
| SMILES | c1ccc(-c2cc(-c3ccc(-c4ccc(-c5ccc6c(c5)-c5ccccc5C65c6ccccc6-c6ccccc65)cc4)cc3)cc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-c4ccc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)cc4)cc3)cc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-c4cccc(-c5ccc6c(c5)-c5ccccc5C65c6ccccc6-c6ccccc65)c4)cc3)cc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-c4cccc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)c4)cc3)cc(-c3ccccc3)n2)cc1 |
| InChI | InChI=1S/4C54H35N/c1-3-14-38(15-4-1)52-34-43(35-53(55-52)39-16-5-2-6-17-39)37-28-26-36(27-29-37)40-18-13-19-41(32-40)42-30-31-51-47(33-42)46-22-9-12-25-50(46)54(51)48-23-10-7-20-44(48)45-21-8-11-24-49(45)54;1-3-14-38(15-4-1)52-34-43(35-53(55-52)39-16-5-2-6-17-39)37-28-26-36(27-29-37)40-18-13-19-41(32-40)42-30-31-47-46-22-9-12-25-50(46)54(51(47)33-42)48-23-10-7-20-44(48)45-21-8-11-24-49(45)54;1-3-13-40(14-4-1)52-34-43(35-53(55-52)41-15-5-2-6-16-41)39-29-25-37(26-30-39)36-23-27-38(28-24-36)42-31-32-51-47(33-42)46-19-9-12-22-50(46)54(51)48-20-10-7-17-44(48)45-18-8-11-21-49(45)54;1-3-13-40(14-4-1)52-34-43(35-53(55-52)41-15-5-2-6-16-41)39-29-25-37(26-30-39)36-23-27-38(28-24-36)42-31-32-47-46-19-9-12-22-50(46)54(51(47)33-42)48-20-10-7-17-44(48)45-18-8-11-21-49(45)54/h4*1-35H |
| InChIKey | HBHQKMVTQVRBLB-UHFFFAOYSA-N |
| XLogP | 55.04 |
| TPSA | 51.56 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 220 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2791.52 |
| LogP ≤ 5 | 55.04 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |