C115H74N2O — CID 159917720
3-[9-(4-dibenzofuran-2-ylnaphthalen-1-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-[4-(9H-fluoren-3-yl)phenyl]-9H-fluoren-3-yl]-9-(3-phenylphenyl)-9H-fluorene (PubChem CID 159917720) has the molecular formula C115H74N2O and a molecular weight of 1499.87 g/mol. Its IUPAC name is 3-[9-(4-dibenzofuran-2-ylnaphthalen-1-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-[4-(9H-fluoren-3-yl)phenyl]-9H-fluoren-3-yl]-9-(3-phenylphenyl)-9H-fluorene.
| Compound Name | 3-[9-(4-dibenzofuran-2-ylnaphthalen-1-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-[4-(9H-fluoren-3-yl)phenyl]-9H-fluoren-3-yl]-9-(3-phenylphenyl)-9H-fluorene |
|---|---|
| PubChem CID | 159917720 |
| Molecular Formula | C115H74N2O |
| Molecular Weight | 1499.87 g/mol |
| Exact Mass | 1498.58 |
| IUPAC Name | 3-[9-(4-dibenzofuran-2-ylnaphthalen-1-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-[4-(9H-fluoren-3-yl)phenyl]-9H-fluoren-3-yl]-9-(3-phenylphenyl)-9H-fluorene |
| SMILES | c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6ccc7oc8ccccc8c7c6)c6ccccc56)ccc43)cc2)cc1.c1ccc(-c2cccc(C3c4ccccc4-c4cc(-c5ccc6c(c5)-c5ccccc5C6c5ccc(-c6ccc7c(c6)-c6ccccc6C7)cc5)ccc43)c2)cc1 |
| InChI | InChI=1S/C58H36N2O.C57H38/c1-2-12-37(13-3-1)38-22-27-42(28-23-38)59-52-19-9-6-16-46(52)49-34-39(24-30-55(49)59)40-25-31-56-50(35-40)47-17-7-10-20-53(47)60(56)54-32-29-43(44-14-4-5-15-45(44)54)41-26-33-58-51(36-41)48-18-8-11-21-57(48)61-58;1-2-11-36(12-3-1)39-14-10-15-45(31-39)57-50-20-9-7-18-48(50)55-35-42(28-30-52(55)57)41-27-29-51-54(34-41)47-17-6-8-19-49(47)56(51)38-23-21-37(22-24-38)40-25-26-44-32-43-13-4-5-16-46(43)53(44)33-40/h1-36H;1-31,33-35,56-57H,32H2 |
| InChIKey | NXZQOGFKEVVHPR-UHFFFAOYSA-N |
| XLogP | 30.51 |
| TPSA | 23.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Heavy Atoms | 118 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1499.87 |
| LogP ≤ 5 | 30.51 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |