N-(4-fluorophenyl)-2,4-diphenylphthalazin-1-imine;hydrochloride

C26H19ClFN3 — CID 134116657

IUPACN-(4-fluorophenyl)-2,4-diphenylphthalazin-1-imine;hydrochloride
SMILESCl.Fc1ccc(/N=c2\c3ccccc3c(-c3ccccc3)nn2-c2ccccc2)cc1
InChIInChI=1S/C26H18FN3.ClH/c27-20-15-17-21(18-16-20)28-26-24-14-8-7-13-23(24)25(19-9-3-1-4-10-19)29-30(26)22-11-5-2-6-12-22;/h1-18H;1H/b28-26+;
InChIKeyLFCLNUOZSWZFIE-GEHDOLFLSA-N
MW427.91 g/mol
LogP6.49
Rot. Bonds3

About N-(4-fluorophenyl)-2,4-diphenylphthalazin-1-imine;hydrochloride

N-(4-fluorophenyl)-2,4-diphenylphthalazin-1-imine;hydrochloride (PubChem CID 134116657) has the molecular formula C26H19ClFN3 and a molecular weight of 427.91 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2,4-diphenylphthalazin-1-imine;hydrochloride.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2,4-diphenylphthalazin-1-imine;hydrochloride
PubChem CID134116657
Molecular FormulaC26H19ClFN3
Molecular Weight427.91 g/mol
Exact Mass427.13
IUPAC NameN-(4-fluorophenyl)-2,4-diphenylphthalazin-1-imine;hydrochloride
SMILESCl.Fc1ccc(/N=c2\c3ccccc3c(-c3ccccc3)nn2-c2ccccc2)cc1
InChIInChI=1S/C26H18FN3.ClH/c27-20-15-17-21(18-16-20)28-26-24-14-8-7-13-23(24)25(19-9-3-1-4-10-19)29-30(26)22-11-5-2-6-12-22;/h1-18H;1H/b28-26+;
InChIKeyLFCLNUOZSWZFIE-GEHDOLFLSA-N
XLogP6.49
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.91
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(4-fluorophenyl)-2,4-diphenylphthalazin-1-imine;hydrochloride 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 N-(4-fluorophenyl)-2,4-diphenylphthalazin-1-imine;hydrochloride?
The IUPAC name of N-(4-fluorophenyl)-2,4-diphenylphthalazin-1-imine;hydrochloride (CID 134116657) is N-(4-fluorophenyl)-2,4-diphenylphthalazin-1-imine;hydrochloride.
What is the SMILES notation for N-(4-fluorophenyl)-2,4-diphenylphthalazin-1-imine;hydrochloride?
The canonical SMILES for N-(4-fluorophenyl)-2,4-diphenylphthalazin-1-imine;hydrochloride is Cl.Fc1ccc(/N=c2\c3ccccc3c(-c3ccccc3)nn2-c2ccccc2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2,4-diphenylphthalazin-1-imine;hydrochloride?
The InChIKey is LFCLNUOZSWZFIE-GEHDOLFLSA-N. The full InChI is InChI=1S/C26H18FN3.ClH/c27-20-15-17-21(18-16-20)28-26-24-14-8-7-13-23(24)25(19-9-3-1-4-10-19)29-30(26)22-11-5-2-6-12-22;/h1-18H;1H/b28-26+;.
What are the key properties of N-(4-fluorophenyl)-2,4-diphenylphthalazin-1-imine;hydrochloride?
N-(4-fluorophenyl)-2,4-diphenylphthalazin-1-imine;hydrochloride has a molecular weight of 427.91 g/mol, XLogP of 6.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2,4-diphenylphthalazin-1-imine;hydrochloride is sourced from PubChem (CID 134116657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).