About [2-methoxy-4-[5-[3-methoxy-4-(pyridin-2-yldiazenyl)phenyl]furan-2-yl]phenyl]-pyridin-2-yldiazene
[2-methoxy-4-[5-[3-methoxy-4-(pyridin-2-yldiazenyl)phenyl]furan-2-yl]phenyl]-pyridin-2-yldiazene (PubChem CID 20637341) has the molecular formula C28H22N6O3
and a molecular weight of 490.52 g/mol. Its IUPAC name is [2-methoxy-4-[5-[3-methoxy-4-(pyridin-2-yldiazenyl)phenyl]furan-2-yl]phenyl]-pyridin-2-yldiazene.
Molecular Properties
| Compound Name | [2-methoxy-4-[5-[3-methoxy-4-(pyridin-2-yldiazenyl)phenyl]furan-2-yl]phenyl]-pyridin-2-yldiazene |
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| PubChem CID | 20637341 |
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| Molecular Formula | C28H22N6O3 |
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| Molecular Weight | 490.52 g/mol |
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| Exact Mass | 490.18 |
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| IUPAC Name | [2-methoxy-4-[5-[3-methoxy-4-(pyridin-2-yldiazenyl)phenyl]furan-2-yl]phenyl]-pyridin-2-yldiazene |
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| SMILES | COc1cc(-c2ccc(-c3ccc(/N=N/c4ccccn4)c(OC)c3)o2)ccc1/N=N/c1ccccn1 |
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| InChI | InChI=1S/C28H22N6O3/c1-35-25-17-19(9-11-21(25)31-33-27-7-3-5-15-29-27)23-13-14-24(37-23)20-10-12-22(26(18-20)36-2)32-34-28-8-4-6-16-30-28/h3-18H,1-2H3/b33-31+,34-32+ |
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| InChIKey | QAXFLYCTFDSUAQ-FMWAKIAMSA-N |
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| XLogP | 8.25 |
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| TPSA | 106.82 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 9 |
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| Rotatable Bonds | 8 |
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| Heavy Atoms | 37 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 490.52 |
| LogP ≤ 5 | 8.25 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 9 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of [2-methoxy-4-[5-[3-methoxy-4-(pyridin-2-yldiazenyl)phenyl]furan-2-yl]phenyl]-pyridin-2-yldiazene?
The IUPAC name of [2-methoxy-4-[5-[3-methoxy-4-(pyridin-2-yldiazenyl)phenyl]furan-2-yl]phenyl]-pyridin-2-yldiazene (CID 20637341) is [2-methoxy-4-[5-[3-methoxy-4-(pyridin-2-yldiazenyl)phenyl]furan-2-yl]phenyl]-pyridin-2-yldiazene.
What is the SMILES notation for [2-methoxy-4-[5-[3-methoxy-4-(pyridin-2-yldiazenyl)phenyl]furan-2-yl]phenyl]-pyridin-2-yldiazene?
The canonical SMILES for [2-methoxy-4-[5-[3-methoxy-4-(pyridin-2-yldiazenyl)phenyl]furan-2-yl]phenyl]-pyridin-2-yldiazene is COc1cc(-c2ccc(-c3ccc(/N=N/c4ccccn4)c(OC)c3)o2)ccc1/N=N/c1ccccn1.
What is the InChIKey of [2-methoxy-4-[5-[3-methoxy-4-(pyridin-2-yldiazenyl)phenyl]furan-2-yl]phenyl]-pyridin-2-yldiazene?
The InChIKey is QAXFLYCTFDSUAQ-FMWAKIAMSA-N. The full InChI is InChI=1S/C28H22N6O3/c1-35-25-17-19(9-11-21(25)31-33-27-7-3-5-15-29-27)23-13-14-24(37-23)20-10-12-22(26(18-20)36-2)32-34-28-8-4-6-16-30-28/h3-18H,1-2H3/b33-31+,34-32+.
What are the key properties of [2-methoxy-4-[5-[3-methoxy-4-(pyridin-2-yldiazenyl)phenyl]furan-2-yl]phenyl]-pyridin-2-yldiazene?
[2-methoxy-4-[5-[3-methoxy-4-(pyridin-2-yldiazenyl)phenyl]furan-2-yl]phenyl]-pyridin-2-yldiazene has a molecular weight of 490.52 g/mol, XLogP of 8.25, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-4-[5-[3-methoxy-4-(pyridin-2-yldiazenyl)phenyl]furan-2-yl]phenyl]-pyridin-2-yldiazene is sourced from PubChem (CID 20637341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).