6-oxo-3,5-diphenyl-2-[(E)-2-phenylethenyl]-1,3-oxazin-3-ium-4-olate

C24H17NO3 — CID 11485432

IUPAC6-oxo-3,5-diphenyl-2-[(E)-2-phenylethenyl]-1,3-oxazin-3-ium-4-olate
SMILESO=c1oc(/C=C/c2ccccc2)[n+](-c2ccccc2)c([O-])c1-c1ccccc1
InChIInChI=1S/C24H17NO3/c26-23-22(19-12-6-2-7-13-19)24(27)28-21(17-16-18-10-4-1-5-11-18)25(23)20-14-8-3-9-15-20/h1-17H/b17-16+
InChIKeyATAXFHNHFZKWJA-WUKNDPDISA-N
MW367.40 g/mol
LogP3.83
Rot. Bonds4

About 6-oxo-3,5-diphenyl-2-[(E)-2-phenylethenyl]-1,3-oxazin-3-ium-4-olate

6-oxo-3,5-diphenyl-2-[(E)-2-phenylethenyl]-1,3-oxazin-3-ium-4-olate (PubChem CID 11485432) has the molecular formula C24H17NO3 and a molecular weight of 367.40 g/mol. Its IUPAC name is 6-oxo-3,5-diphenyl-2-[(E)-2-phenylethenyl]-1,3-oxazin-3-ium-4-olate.

Molecular Properties

Compound Name6-oxo-3,5-diphenyl-2-[(E)-2-phenylethenyl]-1,3-oxazin-3-ium-4-olate
PubChem CID11485432
Molecular FormulaC24H17NO3
Molecular Weight367.40 g/mol
Exact Mass367.12
IUPAC Name6-oxo-3,5-diphenyl-2-[(E)-2-phenylethenyl]-1,3-oxazin-3-ium-4-olate
SMILESO=c1oc(/C=C/c2ccccc2)[n+](-c2ccccc2)c([O-])c1-c1ccccc1
InChIInChI=1S/C24H17NO3/c26-23-22(19-12-6-2-7-13-19)24(27)28-21(17-16-18-10-4-1-5-11-18)25(23)20-14-8-3-9-15-20/h1-17H/b17-16+
InChIKeyATAXFHNHFZKWJA-WUKNDPDISA-N
XLogP3.83
TPSA57.15 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

Methanaminium, N-(4-((4-(dimethylamino)phenyl)phenylmethylene)-2,5-cyclohexadien-1-ylidene)-N-methyl-, benzoate (1:1)
CID 110455
Aotaphenazine
CID 132512138
6-Oxo-2,3,5-triphenyl-1,3-oxazin-3-ium-4-olate
CID 12445228
ethyl (Z)-2,3-diphenyl-3-(N-phenylanilino)prop-2-enoate
CID 101519362
Prop-2-enyl 2-[4-(dibenzylamino)phenyl]acetate
CID 138967269
Dimethyl 1,4-diphenyl-6-(phenylimino)-1,6-dihydropyridine-2,3-dicarboxylate
CID 146675025
5-[4-(Dimethylamino)phenyl]-3,6-diphenylpyran-2-one
CID 164685894
5-Benzyl-6-oxo-2,3-diphenyl-1,3-oxazin-3-ium-4-olate
CID 2784925
5-benzyl-6-oxo-3-phenyl-2-[(E)-2-phenylethenyl]-1,3-oxazin-3-ium-4-olate
CID 11269034
methyl (Z)-3-anilino-2,3-diphenylprop-2-enoate
CID 21788796
3-[4-(N-phenylanilino)phenyl]furan-2,5-dione
CID 153723249
3-benzyl-6-oxo-5-phenyl-2-[(E)-2-phenylethenyl]-1,3-oxazin-3-ium-4-olate
CID 11211221

Frequently Asked Questions

What is the IUPAC name of 6-oxo-3,5-diphenyl-2-[(E)-2-phenylethenyl]-1,3-oxazin-3-ium-4-olate?
The IUPAC name of 6-oxo-3,5-diphenyl-2-[(E)-2-phenylethenyl]-1,3-oxazin-3-ium-4-olate (CID 11485432) is 6-oxo-3,5-diphenyl-2-[(E)-2-phenylethenyl]-1,3-oxazin-3-ium-4-olate.
What is the SMILES notation for 6-oxo-3,5-diphenyl-2-[(E)-2-phenylethenyl]-1,3-oxazin-3-ium-4-olate?
The canonical SMILES for 6-oxo-3,5-diphenyl-2-[(E)-2-phenylethenyl]-1,3-oxazin-3-ium-4-olate is O=c1oc(/C=C/c2ccccc2)[n+](-c2ccccc2)c([O-])c1-c1ccccc1.
What is the InChIKey of 6-oxo-3,5-diphenyl-2-[(E)-2-phenylethenyl]-1,3-oxazin-3-ium-4-olate?
The InChIKey is ATAXFHNHFZKWJA-WUKNDPDISA-N. The full InChI is InChI=1S/C24H17NO3/c26-23-22(19-12-6-2-7-13-19)24(27)28-21(17-16-18-10-4-1-5-11-18)25(23)20-14-8-3-9-15-20/h1-17H/b17-16+.
What are the key properties of 6-oxo-3,5-diphenyl-2-[(E)-2-phenylethenyl]-1,3-oxazin-3-ium-4-olate?
6-oxo-3,5-diphenyl-2-[(E)-2-phenylethenyl]-1,3-oxazin-3-ium-4-olate has a molecular weight of 367.40 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-3,5-diphenyl-2-[(E)-2-phenylethenyl]-1,3-oxazin-3-ium-4-olate is sourced from PubChem (CID 11485432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).