4-phenyl-2-[(E)-2-phenylethenyl]chromeno[4,3-b]pyridin-5-one

C₂₆H₁₇NO₂ — CID 73349241

About 4-phenyl-2-[(E)-2-phenylethenyl]chromeno[4,3-b]pyridin-5-one

4-phenyl-2-[(E)-2-phenylethenyl]chromeno[4,3-b]pyridin-5-one (PubChem CID 73349241) has the molecular formula C₂₆H₁₇NO₂ and a molecular weight of 375.43 g/mol. Its IUPAC name is 4-phenyl-2-[(E)-2-phenylethenyl]chromeno[4,3-b]pyridin-5-one.

Molecular Properties

• Compound Name: 4-phenyl-2-[(E)-2-phenylethenyl]chromeno[4,3-b]pyridin-5-one
• PubChem CID: 73349241
• Molecular Formula: C₂₆H₁₇NO₂
• Molecular Weight: 375.43 g/mol
• Exact Mass: 375.13
• IUPAC Name: 4-phenyl-2-[(E)-2-phenylethenyl]chromeno[4,3-b]pyridin-5-one
• SMILES: O=c1oc2ccccc2c2nc(/C=C/c3ccccc3)cc(-c3ccccc3)c12
• InChI: InChI=1S/C26H17NO2/c28-26-24-22(19-11-5-2-6-12-19)17-20(16-15-18-9-3-1-4-10-18)27-25(24)21-13-7-8-14-23(21)29-26/h1-17H/b16-15+
• InChIKey: UCFJSCWBVQVUHS-FOCLMDBBSA-N
• XLogP: 6.18
• TPSA: 43.10 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	375.43
LogP ≤ 5	6.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-[(E)-2-phenylethenyl]chromeno[4,3-b]pyridin-5-one?

The IUPAC name of 4-phenyl-2-[(E)-2-phenylethenyl]chromeno[4,3-b]pyridin-5-one (CID 73349241) is 4-phenyl-2-[(E)-2-phenylethenyl]chromeno[4,3-b]pyridin-5-one.

What is the SMILES notation for 4-phenyl-2-[(E)-2-phenylethenyl]chromeno[4,3-b]pyridin-5-one?

The canonical SMILES for 4-phenyl-2-[(E)-2-phenylethenyl]chromeno[4,3-b]pyridin-5-one is O=c1oc2ccccc2c2nc(/C=C/c3ccccc3)cc(-c3ccccc3)c12.

What is the InChIKey of 4-phenyl-2-[(E)-2-phenylethenyl]chromeno[4,3-b]pyridin-5-one?

The InChIKey is UCFJSCWBVQVUHS-FOCLMDBBSA-N. The full InChI is InChI=1S/C26H17NO2/c28-26-24-22(19-11-5-2-6-12-19)17-20(16-15-18-9-3-1-4-10-18)27-25(24)21-13-7-8-14-23(21)29-26/h1-17H/b16-15+.

What are the key properties of 4-phenyl-2-[(E)-2-phenylethenyl]chromeno[4,3-b]pyridin-5-one?

4-phenyl-2-[(E)-2-phenylethenyl]chromeno[4,3-b]pyridin-5-one has a molecular weight of 375.43 g/mol, XLogP of 6.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-phenyl-2-[(E)-2-phenylethenyl]chromeno[4,3-b]pyridin-5-one is sourced from PubChem (CID 73349241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 73349241 — identifiers, structure, computed properties (public domain)

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