About N-[[10-[[bis(pyridin-2-ylmethyl)amino]methyl]anthracen-9-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
N-[[10-[[bis(pyridin-2-ylmethyl)amino]methyl]anthracen-9-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine (PubChem CID 10175868) has the molecular formula C40H36N6
and a molecular weight of 600.77 g/mol. Its IUPAC name is N-[[10-[[bis(pyridin-2-ylmethyl)amino]methyl]anthracen-9-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine.
Molecular Properties
| Compound Name | N-[[10-[[bis(pyridin-2-ylmethyl)amino]methyl]anthracen-9-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine |
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| PubChem CID | 10175868 |
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| Molecular Formula | C40H36N6 |
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| Molecular Weight | 600.77 g/mol |
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| Exact Mass | 600.30 |
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| IUPAC Name | N-[[10-[[bis(pyridin-2-ylmethyl)amino]methyl]anthracen-9-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine |
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| SMILES | c1ccc(CN(Cc2ccccn2)Cc2c3ccccc3c(CN(Cc3ccccn3)Cc3ccccn3)c3ccccc23)nc1 |
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| InChI | InChI=1S/C40H36N6/c1-2-18-36-35(17-1)39(29-45(25-31-13-5-9-21-41-31)26-32-14-6-10-22-42-32)37-19-3-4-20-38(37)40(36)30-46(27-33-15-7-11-23-43-33)28-34-16-8-12-24-44-34/h1-24H,25-30H2 |
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| InChIKey | DNKGFGZIVLXWOY-UHFFFAOYSA-N |
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| XLogP | 7.98 |
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| TPSA | 58.04 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 12 |
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| Heavy Atoms | 46 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 600.77 |
| LogP ≤ 5 | 7.98 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N-[[10-[[bis(pyridin-2-ylmethyl)amino]methyl]anthracen-9-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine?
The IUPAC name of N-[[10-[[bis(pyridin-2-ylmethyl)amino]methyl]anthracen-9-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine (CID 10175868) is N-[[10-[[bis(pyridin-2-ylmethyl)amino]methyl]anthracen-9-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine.
What is the SMILES notation for N-[[10-[[bis(pyridin-2-ylmethyl)amino]methyl]anthracen-9-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine?
The canonical SMILES for N-[[10-[[bis(pyridin-2-ylmethyl)amino]methyl]anthracen-9-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine is c1ccc(CN(Cc2ccccn2)Cc2c3ccccc3c(CN(Cc3ccccn3)Cc3ccccn3)c3ccccc23)nc1.
What is the InChIKey of N-[[10-[[bis(pyridin-2-ylmethyl)amino]methyl]anthracen-9-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine?
The InChIKey is DNKGFGZIVLXWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H36N6/c1-2-18-36-35(17-1)39(29-45(25-31-13-5-9-21-41-31)26-32-14-6-10-22-42-32)37-19-3-4-20-38(37)40(36)30-46(27-33-15-7-11-23-43-33)28-34-16-8-12-24-44-34/h1-24H,25-30H2.
What are the key properties of N-[[10-[[bis(pyridin-2-ylmethyl)amino]methyl]anthracen-9-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine?
N-[[10-[[bis(pyridin-2-ylmethyl)amino]methyl]anthracen-9-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine has a molecular weight of 600.77 g/mol, XLogP of 7.98, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[10-[[bis(pyridin-2-ylmethyl)amino]methyl]anthracen-9-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine is sourced from PubChem (CID 10175868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).