[4-(4-azaniumylphenyl)phenyl]azanium

C12H14N2+2 — CID 5255574

IUPAC[4-(4-azaniumylphenyl)phenyl]azanium
SMILES[NH3+]c1ccc(-c2ccc([NH3+])cc2)cc1
InChIInChI=1S/C12H12N2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H,13-14H2/p+2
InChIKeyHFACYLZERDEVSX-UHFFFAOYSA-P
MW186.26 g/mol
LogP1.10
Rot. Bonds1

About [4-(4-azaniumylphenyl)phenyl]azanium

[4-(4-azaniumylphenyl)phenyl]azanium (PubChem CID 5255574) has the molecular formula C12H14N2+2 and a molecular weight of 186.26 g/mol. Its IUPAC name is [4-(4-azaniumylphenyl)phenyl]azanium.

Molecular Properties

Compound Name[4-(4-azaniumylphenyl)phenyl]azanium
PubChem CID5255574
Molecular FormulaC12H14N2+2
Molecular Weight186.26 g/mol
Exact Mass186.11
IUPAC Name[4-(4-azaniumylphenyl)phenyl]azanium
SMILES[NH3+]c1ccc(-c2ccc([NH3+])cc2)cc1
InChIInChI=1S/C12H12N2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H,13-14H2/p+2
InChIKeyHFACYLZERDEVSX-UHFFFAOYSA-P
XLogP1.10
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of [4-(4-azaniumylphenyl)phenyl]azanium?
The IUPAC name of [4-(4-azaniumylphenyl)phenyl]azanium (CID 5255574) is [4-(4-azaniumylphenyl)phenyl]azanium.
What is the SMILES notation for [4-(4-azaniumylphenyl)phenyl]azanium?
The canonical SMILES for [4-(4-azaniumylphenyl)phenyl]azanium is [NH3+]c1ccc(-c2ccc([NH3+])cc2)cc1.
What is the InChIKey of [4-(4-azaniumylphenyl)phenyl]azanium?
The InChIKey is HFACYLZERDEVSX-UHFFFAOYSA-P. The full InChI is InChI=1S/C12H12N2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H,13-14H2/p+2.
What are the key properties of [4-(4-azaniumylphenyl)phenyl]azanium?
[4-(4-azaniumylphenyl)phenyl]azanium has a molecular weight of 186.26 g/mol, XLogP of 1.10, 1 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-azaniumylphenyl)phenyl]azanium is sourced from PubChem (CID 5255574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).