C108H69N9O3 — CID 157448250
6-(3,5-dipyridin-2-ylphenyl)-2-phenylfuro[3,2-c]carbazole;6-(3,5-dipyridin-3-ylphenyl)-2-phenylfuro[3,2-c]carbazole;6-(3,5-dipyridin-4-ylphenyl)-2-phenylfuro[3,2-c]carbazole (PubChem CID 157448250) has the molecular formula C108H69N9O3 and a molecular weight of 1540.80 g/mol. Its IUPAC name is 6-(3,5-dipyridin-2-ylphenyl)-2-phenylfuro[3,2-c]carbazole;6-(3,5-dipyridin-3-ylphenyl)-2-phenylfuro[3,2-c]carbazole;6-(3,5-dipyridin-4-ylphenyl)-2-phenylfuro[3,2-c]carbazole.
| Compound Name | 6-(3,5-dipyridin-2-ylphenyl)-2-phenylfuro[3,2-c]carbazole;6-(3,5-dipyridin-3-ylphenyl)-2-phenylfuro[3,2-c]carbazole;6-(3,5-dipyridin-4-ylphenyl)-2-phenylfuro[3,2-c]carbazole |
|---|---|
| PubChem CID | 157448250 |
| Molecular Formula | C108H69N9O3 |
| Molecular Weight | 1540.80 g/mol |
| Exact Mass | 1539.55 |
| IUPAC Name | 6-(3,5-dipyridin-2-ylphenyl)-2-phenylfuro[3,2-c]carbazole;6-(3,5-dipyridin-3-ylphenyl)-2-phenylfuro[3,2-c]carbazole;6-(3,5-dipyridin-4-ylphenyl)-2-phenylfuro[3,2-c]carbazole |
| SMILES | c1ccc(-c2cc3ccc4c(c5ccccc5n4-c4cc(-c5ccccn5)cc(-c5ccccn5)c4)c3o2)cc1.c1ccc(-c2cc3ccc4c(c5ccccc5n4-c4cc(-c5cccnc5)cc(-c5cccnc5)c4)c3o2)cc1.c1ccc(-c2cc3ccc4c(c5ccccc5n4-c4cc(-c5ccncc5)cc(-c5ccncc5)c4)c3o2)cc1 |
| InChI | InChI=1S/3C36H23N3O/c1-2-10-24(11-3-1)34-23-25-16-17-33-35(36(25)40-34)29-12-4-5-15-32(29)39(33)28-21-26(30-13-6-8-18-37-30)20-27(22-28)31-14-7-9-19-38-31;1-2-8-24(9-3-1)34-21-25-14-15-33-35(36(25)40-34)31-12-4-5-13-32(31)39(33)30-19-28(26-10-6-16-37-22-26)18-29(20-30)27-11-7-17-38-23-27;1-2-6-26(7-3-1)34-23-27-10-11-33-35(36(27)40-34)31-8-4-5-9-32(31)39(33)30-21-28(24-12-16-37-17-13-24)20-29(22-30)25-14-18-38-19-15-25/h3*1-23H |
| InChIKey | BSMGQHPYCWFYLF-UHFFFAOYSA-N |
| XLogP | 27.96 |
| TPSA | 131.55 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 12 |
| Heavy Atoms | 120 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1540.80 |
| LogP ≤ 5 | 27.96 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |