About N-[4-[10-[4-(dipyridin-2-ylamino)phenyl]-3-methylanthracen-9-yl]phenyl]-N-pyridin-2-ylpyridin-2-amine
N-[4-[10-[4-(dipyridin-2-ylamino)phenyl]-3-methylanthracen-9-yl]phenyl]-N-pyridin-2-ylpyridin-2-amine (PubChem CID 58894851) has the molecular formula C47H34N6
and a molecular weight of 682.83 g/mol. Its IUPAC name is N-[4-[10-[4-(dipyridin-2-ylamino)phenyl]-3-methylanthracen-9-yl]phenyl]-N-pyridin-2-ylpyridin-2-amine.
Molecular Properties
| Compound Name | N-[4-[10-[4-(dipyridin-2-ylamino)phenyl]-3-methylanthracen-9-yl]phenyl]-N-pyridin-2-ylpyridin-2-amine |
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| PubChem CID | 58894851 |
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| Molecular Formula | C47H34N6 |
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| Molecular Weight | 682.83 g/mol |
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| Exact Mass | 682.28 |
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| IUPAC Name | N-[4-[10-[4-(dipyridin-2-ylamino)phenyl]-3-methylanthracen-9-yl]phenyl]-N-pyridin-2-ylpyridin-2-amine |
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| SMILES | Cc1ccc2c(-c3ccc(N(c4ccccn4)c4ccccn4)cc3)c3ccccc3c(-c3ccc(N(c4ccccn4)c4ccccn4)cc3)c2c1 |
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| InChI | InChI=1S/C47H34N6/c1-33-18-27-40-41(32-33)47(35-21-25-37(26-22-35)53(44-16-6-10-30-50-44)45-17-7-11-31-51-45)39-13-3-2-12-38(39)46(40)34-19-23-36(24-20-34)52(42-14-4-8-28-48-42)43-15-5-9-29-49-43/h2-32H,1H3 |
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| InChIKey | RGWRYGTXWABWRG-UHFFFAOYSA-N |
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| XLogP | 12.16 |
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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 | 8 |
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| Heavy Atoms | 53 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 682.83 |
| LogP ≤ 5 | 12.16 |
| 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-[4-[10-[4-(dipyridin-2-ylamino)phenyl]-3-methylanthracen-9-yl]phenyl]-N-pyridin-2-ylpyridin-2-amine?
The IUPAC name of N-[4-[10-[4-(dipyridin-2-ylamino)phenyl]-3-methylanthracen-9-yl]phenyl]-N-pyridin-2-ylpyridin-2-amine (CID 58894851) is N-[4-[10-[4-(dipyridin-2-ylamino)phenyl]-3-methylanthracen-9-yl]phenyl]-N-pyridin-2-ylpyridin-2-amine.
What is the SMILES notation for N-[4-[10-[4-(dipyridin-2-ylamino)phenyl]-3-methylanthracen-9-yl]phenyl]-N-pyridin-2-ylpyridin-2-amine?
The canonical SMILES for N-[4-[10-[4-(dipyridin-2-ylamino)phenyl]-3-methylanthracen-9-yl]phenyl]-N-pyridin-2-ylpyridin-2-amine is Cc1ccc2c(-c3ccc(N(c4ccccn4)c4ccccn4)cc3)c3ccccc3c(-c3ccc(N(c4ccccn4)c4ccccn4)cc3)c2c1.
What is the InChIKey of N-[4-[10-[4-(dipyridin-2-ylamino)phenyl]-3-methylanthracen-9-yl]phenyl]-N-pyridin-2-ylpyridin-2-amine?
The InChIKey is RGWRYGTXWABWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H34N6/c1-33-18-27-40-41(32-33)47(35-21-25-37(26-22-35)53(44-16-6-10-30-50-44)45-17-7-11-31-51-45)39-13-3-2-12-38(39)46(40)34-19-23-36(24-20-34)52(42-14-4-8-28-48-42)43-15-5-9-29-49-43/h2-32H,1H3.
What are the key properties of N-[4-[10-[4-(dipyridin-2-ylamino)phenyl]-3-methylanthracen-9-yl]phenyl]-N-pyridin-2-ylpyridin-2-amine?
N-[4-[10-[4-(dipyridin-2-ylamino)phenyl]-3-methylanthracen-9-yl]phenyl]-N-pyridin-2-ylpyridin-2-amine has a molecular weight of 682.83 g/mol, XLogP of 12.16, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[10-[4-(dipyridin-2-ylamino)phenyl]-3-methylanthracen-9-yl]phenyl]-N-pyridin-2-ylpyridin-2-amine is sourced from PubChem (CID 58894851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).