C183H123N3O3 — CID 157080742
N-[4-(7,7-diphenylfluoreno[2,3-b][1]benzofuran-1-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-(7,7-diphenylfluoreno[2,3-b][1]benzofuran-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-(7,7-diphenylfluoreno[2,3-b][1]benzofuran-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 157080742) has the molecular formula C183H123N3O3 and a molecular weight of 2412.01 g/mol. Its IUPAC name is N-[4-(7,7-diphenylfluoreno[2,3-b][1]benzofuran-1-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-(7,7-diphenylfluoreno[2,3-b][1]benzofuran-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-(7,7-diphenylfluoreno[2,3-b][1]benzofuran-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.
| Compound Name | N-[4-(7,7-diphenylfluoreno[2,3-b][1]benzofuran-1-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-(7,7-diphenylfluoreno[2,3-b][1]benzofuran-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-(7,7-diphenylfluoreno[2,3-b][1]benzofuran-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline |
|---|---|
| PubChem CID | 157080742 |
| Molecular Formula | C183H123N3O3 |
| Molecular Weight | 2412.01 g/mol |
| Exact Mass | 2409.96 |
| IUPAC Name | N-[4-(7,7-diphenylfluoreno[2,3-b][1]benzofuran-1-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-(7,7-diphenylfluoreno[2,3-b][1]benzofuran-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-(7,7-diphenylfluoreno[2,3-b][1]benzofuran-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline |
| SMILES | c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)oc4cc6c(cc45)-c4ccccc4C6(c4ccccc4)c4ccccc4)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5oc6cc7c(cc6c5c4)-c4ccccc4C7(c4ccccc4)c4ccccc4)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5oc6cc7c(cc6c45)-c4ccccc4C7(c4ccccc4)c4ccccc4)cc3)cc2)cc1 |
| InChI | InChI=1S/3C61H41NO/c1-5-16-42(17-6-1)44-28-34-49(35-29-44)62(50-36-30-45(31-37-50)43-18-7-2-8-19-43)51-38-32-46(33-39-51)52-25-15-27-58-60(52)55-40-54-53-24-13-14-26-56(53)61(47-20-9-3-10-21-47,48-22-11-4-12-23-48)57(54)41-59(55)63-58;1-5-15-42(16-6-1)44-25-32-50(33-26-44)62(51-34-27-45(28-35-51)43-17-7-2-8-18-43)52-36-29-46(30-37-52)47-31-38-59-55(39-47)56-40-54-53-23-13-14-24-57(53)61(48-19-9-3-10-20-48,49-21-11-4-12-22-49)58(54)41-60(56)63-59;1-5-15-42(16-6-1)44-25-32-50(33-26-44)62(51-34-27-45(28-35-51)43-17-7-2-8-18-43)52-36-29-46(30-37-52)47-31-38-54-56-40-55-53-23-13-14-24-57(53)61(48-19-9-3-10-20-48,49-21-11-4-12-22-49)58(55)41-60(56)63-59(54)39-47/h3*1-41H |
| InChIKey | ADMYNOZVOMAFIH-UHFFFAOYSA-N |
| XLogP | 49.26 |
| TPSA | 49.14 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 6 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 189 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2412.01 |
| LogP ≤ 5 | 49.26 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |