About 8-[2-[3-anthracen-2-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-2-yl-5-(3-quinolin-8-ylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]quinoline (PubChem CID 23391329) has the molecular formula C50H30N8
and a molecular weight of 742.85 g/mol. Its IUPAC name is 8-[2-[3-anthracen-2-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-2-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 | 23391329 |
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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-2-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 | c1ccc2cc3cc(-c4cc(-c5nc6cccnc6n5-c5cccc6cccnc56)cc(-c5nc6cccnc6n5-c5cccc6cccnc56)c4)ccc3cc2c1 |
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| InChI | InChI=1S/C50H30N8/c1-2-10-34-26-37-27-36(20-19-35(37)25-33(34)9-1)38-28-39(47-55-41-15-7-23-53-49(41)57(47)43-17-3-11-31-13-5-21-51-45(31)43)30-40(29-38)48-56-42-16-8-24-54-50(42)58(48)44-18-4-12-32-14-6-22-52-46(32)44/h1-30H |
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| InChIKey | FDIVHAMLTHYMJH-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-2-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-2-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-2-yl-5-(3-quinolin-8-ylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]quinoline (CID 23391329) is 8-[2-[3-anthracen-2-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-2-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-2-yl-5-(3-quinolin-8-ylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]quinoline is c1ccc2cc3cc(-c4cc(-c5nc6cccnc6n5-c5cccc6cccnc56)cc(-c5nc6cccnc6n5-c5cccc6cccnc56)c4)ccc3cc2c1.
What is the InChIKey of 8-[2-[3-anthracen-2-yl-5-(3-quinolin-8-ylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]quinoline?
The InChIKey is FDIVHAMLTHYMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30N8/c1-2-10-34-26-37-27-36(20-19-35(37)25-33(34)9-1)38-28-39(47-55-41-15-7-23-53-49(41)57(47)43-17-3-11-31-13-5-21-51-45(31)43)30-40(29-38)48-56-42-16-8-24-54-50(42)58(48)44-18-4-12-32-14-6-22-52-46(32)44/h1-30H.
What are the key properties of 8-[2-[3-anthracen-2-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-2-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-2-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 23391329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).