5-(2-benzyl-3-phenylphenyl)diazinan-3-one

C23H22N2O — CID 173096950

IUPAC5-(2-benzyl-3-phenylphenyl)diazinan-3-one
SMILESO=C1CC(c2cccc(-c3ccccc3)c2Cc2ccccc2)CNN1
InChIInChI=1S/C23H22N2O/c26-23-15-19(16-24-25-23)21-13-7-12-20(18-10-5-2-6-11-18)22(21)14-17-8-3-1-4-9-17/h1-13,19,24H,14-16H2,(H,25,26)
InChIKeyCUBKURQAMILJLK-UHFFFAOYSA-N
MW342.44 g/mol
LogP4.05
Rot. Bonds4

About 5-(2-benzyl-3-phenylphenyl)diazinan-3-one

5-(2-benzyl-3-phenylphenyl)diazinan-3-one (PubChem CID 173096950) has the molecular formula C23H22N2O and a molecular weight of 342.44 g/mol. Its IUPAC name is 5-(2-benzyl-3-phenylphenyl)diazinan-3-one.

Molecular Properties

Compound Name5-(2-benzyl-3-phenylphenyl)diazinan-3-one
PubChem CID173096950
Molecular FormulaC23H22N2O
Molecular Weight342.44 g/mol
Exact Mass342.17
IUPAC Name5-(2-benzyl-3-phenylphenyl)diazinan-3-one
SMILESO=C1CC(c2cccc(-c3ccccc3)c2Cc2ccccc2)CNN1
InChIInChI=1S/C23H22N2O/c26-23-15-19(16-24-25-23)21-13-7-12-20(18-10-5-2-6-11-18)22(21)14-17-8-3-1-4-9-17/h1-13,19,24H,14-16H2,(H,25,26)
InChIKeyCUBKURQAMILJLK-UHFFFAOYSA-N
XLogP4.05
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-benzyl-3-phenylphenyl)diazinan-3-one?
The IUPAC name of 5-(2-benzyl-3-phenylphenyl)diazinan-3-one (CID 173096950) is 5-(2-benzyl-3-phenylphenyl)diazinan-3-one.
What is the SMILES notation for 5-(2-benzyl-3-phenylphenyl)diazinan-3-one?
The canonical SMILES for 5-(2-benzyl-3-phenylphenyl)diazinan-3-one is O=C1CC(c2cccc(-c3ccccc3)c2Cc2ccccc2)CNN1.
What is the InChIKey of 5-(2-benzyl-3-phenylphenyl)diazinan-3-one?
The InChIKey is CUBKURQAMILJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O/c26-23-15-19(16-24-25-23)21-13-7-12-20(18-10-5-2-6-11-18)22(21)14-17-8-3-1-4-9-17/h1-13,19,24H,14-16H2,(H,25,26).
What are the key properties of 5-(2-benzyl-3-phenylphenyl)diazinan-3-one?
5-(2-benzyl-3-phenylphenyl)diazinan-3-one has a molecular weight of 342.44 g/mol, XLogP of 4.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-benzyl-3-phenylphenyl)diazinan-3-one is sourced from PubChem (CID 173096950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).