4-ethyl-2-(4-methylphenyl)-6,6-diphenyl-5H-1,3-selenazin-4-ol

C25H25NOSe — CID 134919744

IUPAC4-ethyl-2-(4-methylphenyl)-6,6-diphenyl-5H-1,3-selenazin-4-ol
SMILESCCC1(O)CC(c2ccccc2)(c2ccccc2)[Se]C(c2ccc(C)cc2)=N1
InChIInChI=1S/C25H25NOSe/c1-3-24(27)18-25(21-10-6-4-7-11-21,22-12-8-5-9-13-22)28-23(26-24)20-16-14-19(2)15-17-20/h4-17,27H,3,18H2,1-2H3
InChIKeyJKFARIRYAOJVFF-UHFFFAOYSA-N
MW434.44 g/mol
LogP4.89
Rot. Bonds4

About 4-ethyl-2-(4-methylphenyl)-6,6-diphenyl-5H-1,3-selenazin-4-ol

4-ethyl-2-(4-methylphenyl)-6,6-diphenyl-5H-1,3-selenazin-4-ol (PubChem CID 134919744) has the molecular formula C25H25NOSe and a molecular weight of 434.44 g/mol. Its IUPAC name is 4-ethyl-2-(4-methylphenyl)-6,6-diphenyl-5H-1,3-selenazin-4-ol.

Molecular Properties

Compound Name4-ethyl-2-(4-methylphenyl)-6,6-diphenyl-5H-1,3-selenazin-4-ol
PubChem CID134919744
Molecular FormulaC25H25NOSe
Molecular Weight434.44 g/mol
Exact Mass435.11
IUPAC Name4-ethyl-2-(4-methylphenyl)-6,6-diphenyl-5H-1,3-selenazin-4-ol
SMILESCCC1(O)CC(c2ccccc2)(c2ccccc2)[Se]C(c2ccc(C)cc2)=N1
InChIInChI=1S/C25H25NOSe/c1-3-24(27)18-25(21-10-6-4-7-11-21,22-12-8-5-9-13-22)28-23(26-24)20-16-14-19(2)15-17-20/h4-17,27H,3,18H2,1-2H3
InChIKeyJKFARIRYAOJVFF-UHFFFAOYSA-N
XLogP4.89
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.44
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(4-methylphenyl)-6,6-diphenyl-5H-1,3-selenazin-4-ol?
The IUPAC name of 4-ethyl-2-(4-methylphenyl)-6,6-diphenyl-5H-1,3-selenazin-4-ol (CID 134919744) is 4-ethyl-2-(4-methylphenyl)-6,6-diphenyl-5H-1,3-selenazin-4-ol.
What is the SMILES notation for 4-ethyl-2-(4-methylphenyl)-6,6-diphenyl-5H-1,3-selenazin-4-ol?
The canonical SMILES for 4-ethyl-2-(4-methylphenyl)-6,6-diphenyl-5H-1,3-selenazin-4-ol is CCC1(O)CC(c2ccccc2)(c2ccccc2)[Se]C(c2ccc(C)cc2)=N1.
What is the InChIKey of 4-ethyl-2-(4-methylphenyl)-6,6-diphenyl-5H-1,3-selenazin-4-ol?
The InChIKey is JKFARIRYAOJVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NOSe/c1-3-24(27)18-25(21-10-6-4-7-11-21,22-12-8-5-9-13-22)28-23(26-24)20-16-14-19(2)15-17-20/h4-17,27H,3,18H2,1-2H3.
What are the key properties of 4-ethyl-2-(4-methylphenyl)-6,6-diphenyl-5H-1,3-selenazin-4-ol?
4-ethyl-2-(4-methylphenyl)-6,6-diphenyl-5H-1,3-selenazin-4-ol has a molecular weight of 434.44 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(4-methylphenyl)-6,6-diphenyl-5H-1,3-selenazin-4-ol is sourced from PubChem (CID 134919744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).