C108H70N2O2 — CID 159217991
9-phenyl-3-[3-(6-phenyldibenzofuran-4-yl)-5-(3-phenylphenyl)phenyl]carbazole;9-phenyl-3-[3-(6-phenyldibenzofuran-4-yl)-5-(4-phenylphenyl)phenyl]carbazole (PubChem CID 159217991) has the molecular formula C108H70N2O2 and a molecular weight of 1427.76 g/mol. Its IUPAC name is 9-phenyl-3-[3-(6-phenyldibenzofuran-4-yl)-5-(3-phenylphenyl)phenyl]carbazole;9-phenyl-3-[3-(6-phenyldibenzofuran-4-yl)-5-(4-phenylphenyl)phenyl]carbazole.
| Compound Name | 9-phenyl-3-[3-(6-phenyldibenzofuran-4-yl)-5-(3-phenylphenyl)phenyl]carbazole;9-phenyl-3-[3-(6-phenyldibenzofuran-4-yl)-5-(4-phenylphenyl)phenyl]carbazole |
|---|---|
| PubChem CID | 159217991 |
| Molecular Formula | C108H70N2O2 |
| Molecular Weight | 1427.76 g/mol |
| Exact Mass | 1426.54 |
| IUPAC Name | 9-phenyl-3-[3-(6-phenyldibenzofuran-4-yl)-5-(3-phenylphenyl)phenyl]carbazole;9-phenyl-3-[3-(6-phenyldibenzofuran-4-yl)-5-(4-phenylphenyl)phenyl]carbazole |
| SMILES | c1ccc(-c2ccc(-c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc(-c4cccc5c4oc4c(-c6ccccc6)cccc45)c3)cc2)cc1.c1ccc(-c2cccc(-c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc(-c4cccc5c4oc4c(-c6ccccc6)cccc45)c3)c2)cc1 |
| InChI | InChI=1S/2C54H35NO/c1-4-15-36(16-5-1)38-19-12-20-39(31-38)41-32-42(40-29-30-52-50(35-40)47-23-10-11-28-51(47)55(52)44-21-8-3-9-22-44)34-43(33-41)46-25-14-27-49-48-26-13-24-45(53(48)56-54(46)49)37-17-6-2-7-18-37;1-4-14-36(15-5-1)37-26-28-38(29-27-37)41-32-42(40-30-31-52-50(35-40)47-20-10-11-25-51(47)55(52)44-18-8-3-9-19-44)34-43(33-41)46-22-13-24-49-48-23-12-21-45(53(48)56-54(46)49)39-16-6-2-7-17-39/h2*1-35H |
| InChIKey | KRIARPPWPZKLGJ-UHFFFAOYSA-N |
| XLogP | 30.04 |
| TPSA | 36.14 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Heavy Atoms | 112 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1427.76 |
| LogP ≤ 5 | 30.04 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |