2,4-diphenylphthalazin-1-one

C20H14N2O — CID 676336

IUPAC2,4-diphenylphthalazin-1-one
SMILESO=c1c2ccccc2c(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C20H14N2O/c23-20-18-14-8-7-13-17(18)19(15-9-3-1-4-10-15)21-22(20)16-11-5-2-6-12-16/h1-14H
InChIKeySEMJODDJJQASLF-UHFFFAOYSA-N
MW298.35 g/mol
LogP4.05
Rot. Bonds2

About 2,4-diphenylphthalazin-1-one

2,4-diphenylphthalazin-1-one (PubChem CID 676336) has the molecular formula C20H14N2O and a molecular weight of 298.35 g/mol. Its IUPAC name is 2,4-diphenylphthalazin-1-one.

Molecular Properties

Compound Name2,4-diphenylphthalazin-1-one
PubChem CID676336
Molecular FormulaC20H14N2O
Molecular Weight298.35 g/mol
Exact Mass298.11
IUPAC Name2,4-diphenylphthalazin-1-one
SMILESO=c1c2ccccc2c(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C20H14N2O/c23-20-18-14-8-7-13-17(18)19(15-9-3-1-4-10-15)21-22(20)16-11-5-2-6-12-16/h1-14H
InChIKeySEMJODDJJQASLF-UHFFFAOYSA-N
XLogP4.05
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,4-diphenylphthalazin-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenylphthalazin-1-one?
The IUPAC name of 2,4-diphenylphthalazin-1-one (CID 676336) is 2,4-diphenylphthalazin-1-one.
What is the SMILES notation for 2,4-diphenylphthalazin-1-one?
The canonical SMILES for 2,4-diphenylphthalazin-1-one is O=c1c2ccccc2c(-c2ccccc2)nn1-c1ccccc1.
What is the InChIKey of 2,4-diphenylphthalazin-1-one?
The InChIKey is SEMJODDJJQASLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O/c23-20-18-14-8-7-13-17(18)19(15-9-3-1-4-10-15)21-22(20)16-11-5-2-6-12-16/h1-14H.
What are the key properties of 2,4-diphenylphthalazin-1-one?
2,4-diphenylphthalazin-1-one has a molecular weight of 298.35 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenylphthalazin-1-one is sourced from PubChem (CID 676336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).