About N-[4-(2-fluoro-5,5-diphenylbenzo[b][1]benzosilol-8-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
N-[4-(2-fluoro-5,5-diphenylbenzo[b][1]benzosilol-8-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 140719473) has the molecular formula C54H38FNSi
and a molecular weight of 747.99 g/mol. Its IUPAC name is N-[4-(2-fluoro-5,5-diphenylbenzo[b][1]benzosilol-8-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.
Molecular Properties
| Compound Name | N-[4-(2-fluoro-5,5-diphenylbenzo[b][1]benzosilol-8-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline |
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| PubChem CID | 140719473 |
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| Molecular Formula | C54H38FNSi |
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| Molecular Weight | 747.99 g/mol |
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| Exact Mass | 747.28 |
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| IUPAC Name | N-[4-(2-fluoro-5,5-diphenylbenzo[b][1]benzosilol-8-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline |
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| SMILES | Fc1ccc2c(c1)-c1cc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)cc3)ccc1[Si]2(c1ccccc1)c1ccccc1 |
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| InChI | InChI=1S/C54H38FNSi/c55-45-28-36-54-52(38-45)51-37-44(27-35-53(51)57(54,49-17-9-3-10-18-49)50-19-11-4-12-20-50)43-25-33-48(34-26-43)56(46-29-21-41(22-30-46)39-13-5-1-6-14-39)47-31-23-42(24-32-47)40-15-7-2-8-16-40/h1-38H |
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| InChIKey | FOCSXJOOCWQAQU-UHFFFAOYSA-N |
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| XLogP | 11.65 |
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| TPSA | 3.24 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 1 |
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| Rotatable Bonds | 8 |
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| Heavy Atoms | 57 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 747.99 |
| LogP ≤ 5 | 11.65 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N-[4-(2-fluoro-5,5-diphenylbenzo[b][1]benzosilol-8-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of N-[4-(2-fluoro-5,5-diphenylbenzo[b][1]benzosilol-8-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (CID 140719473) is N-[4-(2-fluoro-5,5-diphenylbenzo[b][1]benzosilol-8-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-[4-(2-fluoro-5,5-diphenylbenzo[b][1]benzosilol-8-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-[4-(2-fluoro-5,5-diphenylbenzo[b][1]benzosilol-8-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is Fc1ccc2c(c1)-c1cc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)cc3)ccc1[Si]2(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[4-(2-fluoro-5,5-diphenylbenzo[b][1]benzosilol-8-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The InChIKey is FOCSXJOOCWQAQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H38FNSi/c55-45-28-36-54-52(38-45)51-37-44(27-35-53(51)57(54,49-17-9-3-10-18-49)50-19-11-4-12-20-50)43-25-33-48(34-26-43)56(46-29-21-41(22-30-46)39-13-5-1-6-14-39)47-31-23-42(24-32-47)40-15-7-2-8-16-40/h1-38H.
What are the key properties of N-[4-(2-fluoro-5,5-diphenylbenzo[b][1]benzosilol-8-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
N-[4-(2-fluoro-5,5-diphenylbenzo[b][1]benzosilol-8-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline has a molecular weight of 747.99 g/mol, XLogP of 11.65, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-fluoro-5,5-diphenylbenzo[b][1]benzosilol-8-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 140719473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).