C236H196N4O4 — CID 158312050
N-[7-[4-(1-adamantyl)phenyl]-9,9-dimethylfluoren-2-yl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine;N-[7-[4-(1-adamantyl)phenyl]-9,9-dimethylfluoren-2-yl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine;N-[7-[4-(1-adamantyl)phenyl]-9,9-dimethylfluoren-2-yl]-N-(4-naphthalen-2-ylphenyl)dibenzofuran-3-amine;N-[7-[4-(1-adamantyl)phenyl]-9,9-dimethylfluoren-2-yl]-N-(4-naphthalen-2-ylphenyl)dibenzofuran-4-amine (PubChem CID 158312050) has the molecular formula C236H196N4O4 and a molecular weight of 3152.19 g/mol. Its IUPAC name is N-[7-[4-(1-adamantyl)phenyl]-9,9-dimethylfluoren-2-yl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine;N-[7-[4-(1-adamantyl)phenyl]-9,9-dimethylfluoren-2-yl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine;N-[7-[4-(1-adamantyl)phenyl]-9,9-dimethylfluoren-2-yl]-N-(4-naphthalen-2-ylphenyl)dibenzofuran-3-amine;N-[7-[4-(1-adamantyl)phenyl]-9,9-dimethylfluoren-2-yl]-N-(4-naphthalen-2-ylphenyl)dibenzofuran-4-amine.
| Compound Name | N-[7-[4-(1-adamantyl)phenyl]-9,9-dimethylfluoren-2-yl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine;N-[7-[4-(1-adamantyl)phenyl]-9,9-dimethylfluoren-2-yl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine;N-[7-[4-(1-adamantyl)phenyl]-9,9-dimethylfluoren-2-yl]-N-(4-naphthalen-2-ylphenyl)dibenzofuran-3-amine;N-[7-[4-(1-adamantyl)phenyl]-9,9-dimethylfluoren-2-yl]-N-(4-naphthalen-2-ylphenyl)dibenzofuran-4-amine |
|---|---|
| PubChem CID | 158312050 |
| Molecular Formula | C236H196N4O4 |
| Molecular Weight | 3152.19 g/mol |
| Exact Mass | 3149.53 |
| IUPAC Name | N-[7-[4-(1-adamantyl)phenyl]-9,9-dimethylfluoren-2-yl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine;N-[7-[4-(1-adamantyl)phenyl]-9,9-dimethylfluoren-2-yl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine;N-[7-[4-(1-adamantyl)phenyl]-9,9-dimethylfluoren-2-yl]-N-(4-naphthalen-2-ylphenyl)dibenzofuran-3-amine;N-[7-[4-(1-adamantyl)phenyl]-9,9-dimethylfluoren-2-yl]-N-(4-naphthalen-2-ylphenyl)dibenzofuran-4-amine |
| SMILES | CC1(C)c2cc(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)ccc2-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc4c(c3)oc3ccccc34)cc21.CC1(C)c2cc(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)ccc2-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3cccc4c3oc3ccccc34)cc21.CC1(C)c2cc(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)ccc2-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc4c(c3)oc3ccccc34)cc21.CC1(C)c2cc(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)ccc2-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3cccc4c3oc3ccccc34)cc21 |
| InChI | InChI=1S/4C59H49NO/c1-58(2)53-32-43(40-17-22-44(23-18-40)59-34-37-29-38(35-59)31-39(30-37)36-59)21-27-49(53)50-28-26-46(33-54(50)58)60(55-15-8-14-52-51-12-5-6-16-56(51)61-57(52)55)45-24-19-42(20-25-45)48-13-7-10-41-9-3-4-11-47(41)48;1-58(2)54-31-43(40-14-19-44(20-15-40)59-34-37-28-38(35-59)30-39(29-37)36-59)18-25-50(54)51-26-23-46(32-55(51)58)60(47-24-27-53-52-11-5-6-13-56(52)61-57(53)33-47)45-21-16-42(17-22-45)49-12-7-9-41-8-3-4-10-48(41)49;1-58(2)53-32-45(41-16-21-46(22-17-41)59-34-37-28-38(35-59)30-39(29-37)36-59)20-26-49(53)50-27-25-48(33-54(50)58)60(55-12-7-11-52-51-10-5-6-13-56(51)61-57(52)55)47-23-18-42(19-24-47)44-15-14-40-8-3-4-9-43(40)31-44;1-58(2)54-31-45(41-13-18-46(19-14-41)59-34-37-27-38(35-59)29-39(28-37)36-59)17-24-50(54)51-25-22-48(32-55(51)58)60(49-23-26-53-52-9-5-6-10-56(52)61-57(53)33-49)47-20-15-42(16-21-47)44-12-11-40-7-3-4-8-43(40)30-44/h3-28,32-33,37-39H,29-31,34-36H2,1-2H3;2*3-27,31-33,37-39H,28-30,34-36H2,1-2H3;3-26,30-33,37-39H,27-29,34-36H2,1-2H3 |
| InChIKey | GNUJFMPOQARYSY-UHFFFAOYSA-N |
| XLogP | 65.27 |
| TPSA | 65.52 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 8 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 244 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3152.19 |
| LogP ≤ 5 | 65.27 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |