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

C26H17NO2 — CID 73349241

IUPAC4-phenyl-2-[(E)-2-phenylethenyl]chromeno[4,3-b]pyridin-5-one
SMILESO=c1oc2ccccc2c2nc(/C=C/c3ccccc3)cc(-c3ccccc3)c12
InChIInChI=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+
InChIKeyUCFJSCWBVQVUHS-FOCLMDBBSA-N
MW375.43 g/mol
LogP6.18
Rot. Bonds3

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 Name4-phenyl-2-[(E)-2-phenylethenyl]chromeno[4,3-b]pyridin-5-one
PubChem CID73349241
Molecular FormulaC26H17NO2
Molecular Weight375.43 g/mol
Exact Mass375.13
IUPAC Name4-phenyl-2-[(E)-2-phenylethenyl]chromeno[4,3-b]pyridin-5-one
SMILESO=c1oc2ccccc2c2nc(/C=C/c3ccccc3)cc(-c3ccccc3)c12
InChIInChI=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+
InChIKeyUCFJSCWBVQVUHS-FOCLMDBBSA-N
XLogP6.18
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.43
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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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).