C120H86N2O2Si2 — CID 159714421
N-[4-(3-phenylphenyl)phenyl]-N-[4-(4-triphenylsilylphenyl)phenyl]dibenzofuran-4-amine;N-[4-(4-phenylphenyl)phenyl]-N-[4-(4-triphenylsilylphenyl)phenyl]dibenzofuran-4-amine (PubChem CID 159714421) has the molecular formula C120H86N2O2Si2 and a molecular weight of 1644.19 g/mol. Its IUPAC name is N-[4-(3-phenylphenyl)phenyl]-N-[4-(4-triphenylsilylphenyl)phenyl]dibenzofuran-4-amine;N-[4-(4-phenylphenyl)phenyl]-N-[4-(4-triphenylsilylphenyl)phenyl]dibenzofuran-4-amine.
| Compound Name | N-[4-(3-phenylphenyl)phenyl]-N-[4-(4-triphenylsilylphenyl)phenyl]dibenzofuran-4-amine;N-[4-(4-phenylphenyl)phenyl]-N-[4-(4-triphenylsilylphenyl)phenyl]dibenzofuran-4-amine |
|---|---|
| PubChem CID | 159714421 |
| Molecular Formula | C120H86N2O2Si2 |
| Molecular Weight | 1644.19 g/mol |
| Exact Mass | 1642.62 |
| IUPAC Name | N-[4-(3-phenylphenyl)phenyl]-N-[4-(4-triphenylsilylphenyl)phenyl]dibenzofuran-4-amine;N-[4-(4-phenylphenyl)phenyl]-N-[4-(4-triphenylsilylphenyl)phenyl]dibenzofuran-4-amine |
| SMILES | c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)cc5)cc4)c4cccc5c4oc4ccccc45)cc3)cc2)cc1.c1ccc(-c2cccc(-c3ccc(N(c4ccc(-c5ccc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)cc5)cc4)c4cccc5c4oc4ccccc45)cc3)c2)cc1 |
| InChI | InChI=1S/2C60H43NOSi/c1-5-17-44(18-6-1)48-19-15-20-49(43-48)47-33-39-51(40-34-47)61(58-29-16-28-57-56-27-13-14-30-59(56)62-60(57)58)50-37-31-45(32-38-50)46-35-41-55(42-36-46)63(52-21-7-2-8-22-52,53-23-9-3-10-24-53)54-25-11-4-12-26-54;1-5-16-44(17-6-1)45-28-30-46(31-29-45)47-32-38-50(39-33-47)61(58-26-15-25-57-56-24-13-14-27-59(56)62-60(57)58)51-40-34-48(35-41-51)49-36-42-55(43-37-49)63(52-18-7-2-8-19-52,53-20-9-3-10-21-53)54-22-11-4-12-23-54/h2*1-43H |
| InChIKey | MZGCAKXVWHOMTK-UHFFFAOYSA-N |
| XLogP | 26.87 |
| TPSA | 32.76 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 126 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1644.19 |
| LogP ≤ 5 | 26.87 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'} |
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