bis(4-chlorophenyl)azanium

C12H10Cl2N+ — CID 23412532

IUPACbis(4-chlorophenyl)azanium
SMILESClc1ccc([NH2+]c2ccc(Cl)cc2)cc1
InChIInChI=1S/C12H9Cl2N/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8,15H/p+1
InChIKeyPTHWAPQEXRZRJW-UHFFFAOYSA-O
MW239.13 g/mol
LogP3.52
Rot. Bonds2

About bis(4-chlorophenyl)azanium

bis(4-chlorophenyl)azanium (PubChem CID 23412532) has the molecular formula C12H10Cl2N+ and a molecular weight of 239.13 g/mol. Its IUPAC name is bis(4-chlorophenyl)azanium.

Molecular Properties

Compound Namebis(4-chlorophenyl)azanium
PubChem CID23412532
Molecular FormulaC12H10Cl2N+
Molecular Weight239.13 g/mol
Exact Mass238.02
IUPAC Namebis(4-chlorophenyl)azanium
SMILESClc1ccc([NH2+]c2ccc(Cl)cc2)cc1
InChIInChI=1S/C12H9Cl2N/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8,15H/p+1
InChIKeyPTHWAPQEXRZRJW-UHFFFAOYSA-O
XLogP3.52
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.13
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(4-chlorophenyl)azanium?
The IUPAC name of bis(4-chlorophenyl)azanium (CID 23412532) is bis(4-chlorophenyl)azanium.
What is the SMILES notation for bis(4-chlorophenyl)azanium?
The canonical SMILES for bis(4-chlorophenyl)azanium is Clc1ccc([NH2+]c2ccc(Cl)cc2)cc1.
What is the InChIKey of bis(4-chlorophenyl)azanium?
The InChIKey is PTHWAPQEXRZRJW-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H9Cl2N/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8,15H/p+1.
What are the key properties of bis(4-chlorophenyl)azanium?
bis(4-chlorophenyl)azanium has a molecular weight of 239.13 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-chlorophenyl)azanium is sourced from PubChem (CID 23412532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).