About 8-[2-[3-anthracen-9-yl-5-(3-quinolin-8-ylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]quinoline
8-[2-[3-anthracen-9-yl-5-(3-quinolin-8-ylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]quinoline (PubChem CID 23391331) has the molecular formula C50H30N8
and a molecular weight of 742.85 g/mol. Its IUPAC name is 8-[2-[3-anthracen-9-yl-5-(3-quinolin-8-ylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]quinoline.
Molecular Properties
| Compound Name | 8-[2-[3-anthracen-9-yl-5-(3-quinolin-8-ylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]quinoline |
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| PubChem CID | 23391331 |
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| Molecular Formula | C50H30N8 |
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| Molecular Weight | 742.85 g/mol |
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| Exact Mass | 742.26 |
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| IUPAC Name | 8-[2-[3-anthracen-9-yl-5-(3-quinolin-8-ylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]quinoline |
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| SMILES | c1ccc2c(-c3cc(-c4nc5cccnc5n4-c4cccc5cccnc45)cc(-c4nc5cccnc5n4-c4cccc5cccnc45)c3)c3ccccc3cc2c1 |
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| InChI | InChI=1S/C50H30N8/c1-3-17-38-33(11-1)27-34-12-2-4-18-39(34)44(38)35-28-36(47-55-40-19-9-25-53-49(40)57(47)42-21-5-13-31-15-7-23-51-45(31)42)30-37(29-35)48-56-41-20-10-26-54-50(41)58(48)43-22-6-14-32-16-8-24-52-46(32)43/h1-30H |
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| InChIKey | ZCFKPJHKHGTPNN-UHFFFAOYSA-N |
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| XLogP | 11.56 |
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| TPSA | 87.20 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 5 |
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| Heavy Atoms | 58 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 742.85 |
| LogP ≤ 5 | 11.56 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'} |
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Analyze 8-[2-[3-anthracen-9-yl-5-(3-quinolin-8-ylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]quinoline with MolForge
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Frequently Asked Questions
What is the IUPAC name of 8-[2-[3-anthracen-9-yl-5-(3-quinolin-8-ylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]quinoline?
The IUPAC name of 8-[2-[3-anthracen-9-yl-5-(3-quinolin-8-ylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]quinoline (CID 23391331) is 8-[2-[3-anthracen-9-yl-5-(3-quinolin-8-ylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]quinoline.
What is the SMILES notation for 8-[2-[3-anthracen-9-yl-5-(3-quinolin-8-ylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]quinoline?
The canonical SMILES for 8-[2-[3-anthracen-9-yl-5-(3-quinolin-8-ylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]quinoline is c1ccc2c(-c3cc(-c4nc5cccnc5n4-c4cccc5cccnc45)cc(-c4nc5cccnc5n4-c4cccc5cccnc45)c3)c3ccccc3cc2c1.
What is the InChIKey of 8-[2-[3-anthracen-9-yl-5-(3-quinolin-8-ylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]quinoline?
The InChIKey is ZCFKPJHKHGTPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30N8/c1-3-17-38-33(11-1)27-34-12-2-4-18-39(34)44(38)35-28-36(47-55-40-19-9-25-53-49(40)57(47)42-21-5-13-31-15-7-23-51-45(31)42)30-37(29-35)48-56-41-20-10-26-54-50(41)58(48)43-22-6-14-32-16-8-24-52-46(32)43/h1-30H.
What are the key properties of 8-[2-[3-anthracen-9-yl-5-(3-quinolin-8-ylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]quinoline?
8-[2-[3-anthracen-9-yl-5-(3-quinolin-8-ylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]quinoline has a molecular weight of 742.85 g/mol, XLogP of 11.56, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-[3-anthracen-9-yl-5-(3-quinolin-8-ylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]quinoline is sourced from PubChem (CID 23391331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).