About N-[(E)-[3-[(E)-[benzyl(trimethylsilyl)hydrazinylidene]methyl]phenyl]methylideneamino]-1-phenyl-N-trimethylsilylmethanamine
N-[(E)-[3-[(E)-[benzyl(trimethylsilyl)hydrazinylidene]methyl]phenyl]methylideneamino]-1-phenyl-N-trimethylsilylmethanamine (PubChem CID 89455900) has the molecular formula C28H38N4Si2
and a molecular weight of 486.81 g/mol. Its IUPAC name is N-[(E)-[3-[(E)-[benzyl(trimethylsilyl)hydrazinylidene]methyl]phenyl]methylideneamino]-1-phenyl-N-trimethylsilylmethanamine.
Molecular Properties
| Compound Name | N-[(E)-[3-[(E)-[benzyl(trimethylsilyl)hydrazinylidene]methyl]phenyl]methylideneamino]-1-phenyl-N-trimethylsilylmethanamine |
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| PubChem CID | 89455900 |
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| Molecular Formula | C28H38N4Si2 |
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| Molecular Weight | 486.81 g/mol |
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| Exact Mass | 486.26 |
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| IUPAC Name | N-[(E)-[3-[(E)-[benzyl(trimethylsilyl)hydrazinylidene]methyl]phenyl]methylideneamino]-1-phenyl-N-trimethylsilylmethanamine |
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| SMILES | C[Si](C)(C)N(Cc1ccccc1)/N=C/c1cccc(/C=N/N(Cc2ccccc2)[Si](C)(C)C)c1 |
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| InChI | InChI=1S/C28H38N4Si2/c1-33(2,3)31(23-25-14-9-7-10-15-25)29-21-27-18-13-19-28(20-27)22-30-32(34(4,5)6)24-26-16-11-8-12-17-26/h7-22H,23-24H2,1-6H3/b29-21+,30-22+ |
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| InChIKey | NRVYKPXFFIYPKJ-VFIVCBTMSA-N |
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| XLogP | 7.03 |
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| TPSA | 31.20 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 4 |
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| Rotatable Bonds | 10 |
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| Heavy Atoms | 34 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 486.81 |
| LogP ≤ 5 | 7.03 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N-[(E)-[3-[(E)-[benzyl(trimethylsilyl)hydrazinylidene]methyl]phenyl]methylideneamino]-1-phenyl-N-trimethylsilylmethanamine?
The IUPAC name of N-[(E)-[3-[(E)-[benzyl(trimethylsilyl)hydrazinylidene]methyl]phenyl]methylideneamino]-1-phenyl-N-trimethylsilylmethanamine (CID 89455900) is N-[(E)-[3-[(E)-[benzyl(trimethylsilyl)hydrazinylidene]methyl]phenyl]methylideneamino]-1-phenyl-N-trimethylsilylmethanamine.
What is the SMILES notation for N-[(E)-[3-[(E)-[benzyl(trimethylsilyl)hydrazinylidene]methyl]phenyl]methylideneamino]-1-phenyl-N-trimethylsilylmethanamine?
The canonical SMILES for N-[(E)-[3-[(E)-[benzyl(trimethylsilyl)hydrazinylidene]methyl]phenyl]methylideneamino]-1-phenyl-N-trimethylsilylmethanamine is C[Si](C)(C)N(Cc1ccccc1)/N=C/c1cccc(/C=N/N(Cc2ccccc2)[Si](C)(C)C)c1.
What is the InChIKey of N-[(E)-[3-[(E)-[benzyl(trimethylsilyl)hydrazinylidene]methyl]phenyl]methylideneamino]-1-phenyl-N-trimethylsilylmethanamine?
The InChIKey is NRVYKPXFFIYPKJ-VFIVCBTMSA-N. The full InChI is InChI=1S/C28H38N4Si2/c1-33(2,3)31(23-25-14-9-7-10-15-25)29-21-27-18-13-19-28(20-27)22-30-32(34(4,5)6)24-26-16-11-8-12-17-26/h7-22H,23-24H2,1-6H3/b29-21+,30-22+.
What are the key properties of N-[(E)-[3-[(E)-[benzyl(trimethylsilyl)hydrazinylidene]methyl]phenyl]methylideneamino]-1-phenyl-N-trimethylsilylmethanamine?
N-[(E)-[3-[(E)-[benzyl(trimethylsilyl)hydrazinylidene]methyl]phenyl]methylideneamino]-1-phenyl-N-trimethylsilylmethanamine has a molecular weight of 486.81 g/mol, XLogP of 7.03, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[3-[(E)-[benzyl(trimethylsilyl)hydrazinylidene]methyl]phenyl]methylideneamino]-1-phenyl-N-trimethylsilylmethanamine is sourced from PubChem (CID 89455900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).