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

C24H23NOSe — CID 134919765

IUPAC4-methyl-2-(4-methylphenyl)-6,6-diphenyl-5H-1,3-selenazin-4-ol
SMILESCc1ccc(C2=NC(C)(O)CC(c3ccccc3)(c3ccccc3)[Se]2)cc1
InChIInChI=1S/C24H23NOSe/c1-18-13-15-19(16-14-18)22-25-23(2,26)17-24(27-22,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-16,26H,17H2,1-2H3
InChIKeyJDQPJQBZKRNSEL-UHFFFAOYSA-N
MW420.41 g/mol
LogP4.50
Rot. Bonds3

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

4-methyl-2-(4-methylphenyl)-6,6-diphenyl-5H-1,3-selenazin-4-ol (PubChem CID 134919765) has the molecular formula C24H23NOSe and a molecular weight of 420.41 g/mol. Its IUPAC name is 4-methyl-2-(4-methylphenyl)-6,6-diphenyl-5H-1,3-selenazin-4-ol.

Molecular Properties

Compound Name4-methyl-2-(4-methylphenyl)-6,6-diphenyl-5H-1,3-selenazin-4-ol
PubChem CID134919765
Molecular FormulaC24H23NOSe
Molecular Weight420.41 g/mol
Exact Mass421.09
IUPAC Name4-methyl-2-(4-methylphenyl)-6,6-diphenyl-5H-1,3-selenazin-4-ol
SMILESCc1ccc(C2=NC(C)(O)CC(c3ccccc3)(c3ccccc3)[Se]2)cc1
InChIInChI=1S/C24H23NOSe/c1-18-13-15-19(16-14-18)22-25-23(2,26)17-24(27-22,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-16,26H,17H2,1-2H3
InChIKeyJDQPJQBZKRNSEL-UHFFFAOYSA-N
XLogP4.50
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.41
LogP ≤ 54.50
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-methyl-2-(4-methylphenyl)-6,6-diphenyl-5H-1,3-selenazin-4-ol?
The IUPAC name of 4-methyl-2-(4-methylphenyl)-6,6-diphenyl-5H-1,3-selenazin-4-ol (CID 134919765) is 4-methyl-2-(4-methylphenyl)-6,6-diphenyl-5H-1,3-selenazin-4-ol.
What is the SMILES notation for 4-methyl-2-(4-methylphenyl)-6,6-diphenyl-5H-1,3-selenazin-4-ol?
The canonical SMILES for 4-methyl-2-(4-methylphenyl)-6,6-diphenyl-5H-1,3-selenazin-4-ol is Cc1ccc(C2=NC(C)(O)CC(c3ccccc3)(c3ccccc3)[Se]2)cc1.
What is the InChIKey of 4-methyl-2-(4-methylphenyl)-6,6-diphenyl-5H-1,3-selenazin-4-ol?
The InChIKey is JDQPJQBZKRNSEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NOSe/c1-18-13-15-19(16-14-18)22-25-23(2,26)17-24(27-22,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-16,26H,17H2,1-2H3.
What are the key properties of 4-methyl-2-(4-methylphenyl)-6,6-diphenyl-5H-1,3-selenazin-4-ol?
4-methyl-2-(4-methylphenyl)-6,6-diphenyl-5H-1,3-selenazin-4-ol has a molecular weight of 420.41 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(4-methylphenyl)-6,6-diphenyl-5H-1,3-selenazin-4-ol is sourced from PubChem (CID 134919765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).