About N-[4-[9,10-bis(4-naphthalen-2-ylphenyl)anthracen-2-yl]phenyl]-N-pyridin-2-ylpyridin-2-amine
N-[4-[9,10-bis(4-naphthalen-2-ylphenyl)anthracen-2-yl]phenyl]-N-pyridin-2-ylpyridin-2-amine (PubChem CID 58121654) has the molecular formula C62H41N3
and a molecular weight of 828.03 g/mol. Its IUPAC name is N-[4-[9,10-bis(4-naphthalen-2-ylphenyl)anthracen-2-yl]phenyl]-N-pyridin-2-ylpyridin-2-amine.
Molecular Properties
| Compound Name | N-[4-[9,10-bis(4-naphthalen-2-ylphenyl)anthracen-2-yl]phenyl]-N-pyridin-2-ylpyridin-2-amine |
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| PubChem CID | 58121654 |
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| Molecular Formula | C62H41N3 |
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| Molecular Weight | 828.03 g/mol |
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| Exact Mass | 827.33 |
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| IUPAC Name | N-[4-[9,10-bis(4-naphthalen-2-ylphenyl)anthracen-2-yl]phenyl]-N-pyridin-2-ylpyridin-2-amine |
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| SMILES | c1ccc(N(c2ccc(-c3ccc4c(-c5ccc(-c6ccc7ccccc7c6)cc5)c5ccccc5c(-c5ccc(-c6ccc7ccccc7c6)cc5)c4c3)cc2)c2ccccn2)nc1 |
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| InChI | InChI=1S/C62H41N3/c1-3-13-49-39-51(29-23-42(49)11-1)44-19-25-47(26-20-44)61-55-15-5-6-16-56(55)62(48-27-21-45(22-28-48)52-30-24-43-12-2-4-14-50(43)40-52)58-41-53(33-36-57(58)61)46-31-34-54(35-32-46)65(59-17-7-9-37-63-59)60-18-8-10-38-64-60/h1-41H |
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| InChIKey | RUOAVMCJFLUJFO-UHFFFAOYSA-N |
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| XLogP | 16.89 |
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| TPSA | 29.02 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 3 |
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| Rotatable Bonds | 8 |
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| Heavy Atoms | 65 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 828.03 |
| LogP ≤ 5 | 16.89 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |
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-[9,10-bis(4-naphthalen-2-ylphenyl)anthracen-2-yl]phenyl]-N-pyridin-2-ylpyridin-2-amine?
The IUPAC name of N-[4-[9,10-bis(4-naphthalen-2-ylphenyl)anthracen-2-yl]phenyl]-N-pyridin-2-ylpyridin-2-amine (CID 58121654) is N-[4-[9,10-bis(4-naphthalen-2-ylphenyl)anthracen-2-yl]phenyl]-N-pyridin-2-ylpyridin-2-amine.
What is the SMILES notation for N-[4-[9,10-bis(4-naphthalen-2-ylphenyl)anthracen-2-yl]phenyl]-N-pyridin-2-ylpyridin-2-amine?
The canonical SMILES for N-[4-[9,10-bis(4-naphthalen-2-ylphenyl)anthracen-2-yl]phenyl]-N-pyridin-2-ylpyridin-2-amine is c1ccc(N(c2ccc(-c3ccc4c(-c5ccc(-c6ccc7ccccc7c6)cc5)c5ccccc5c(-c5ccc(-c6ccc7ccccc7c6)cc5)c4c3)cc2)c2ccccn2)nc1.
What is the InChIKey of N-[4-[9,10-bis(4-naphthalen-2-ylphenyl)anthracen-2-yl]phenyl]-N-pyridin-2-ylpyridin-2-amine?
The InChIKey is RUOAVMCJFLUJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H41N3/c1-3-13-49-39-51(29-23-42(49)11-1)44-19-25-47(26-20-44)61-55-15-5-6-16-56(55)62(48-27-21-45(22-28-48)52-30-24-43-12-2-4-14-50(43)40-52)58-41-53(33-36-57(58)61)46-31-34-54(35-32-46)65(59-17-7-9-37-63-59)60-18-8-10-38-64-60/h1-41H.
What are the key properties of N-[4-[9,10-bis(4-naphthalen-2-ylphenyl)anthracen-2-yl]phenyl]-N-pyridin-2-ylpyridin-2-amine?
N-[4-[9,10-bis(4-naphthalen-2-ylphenyl)anthracen-2-yl]phenyl]-N-pyridin-2-ylpyridin-2-amine has a molecular weight of 828.03 g/mol, XLogP of 16.89, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[9,10-bis(4-naphthalen-2-ylphenyl)anthracen-2-yl]phenyl]-N-pyridin-2-ylpyridin-2-amine is sourced from PubChem (CID 58121654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).