2-(2-phenylphenyl)benzene-1,3-didiazonium

C18H12N4+2 — CID 88746536

IUPAC2-(2-phenylphenyl)benzene-1,3-didiazonium
SMILESN#[N+]c1cccc([N+]#N)c1-c1ccccc1-c1ccccc1
InChIInChI=1S/C18H12N4/c19-21-16-11-6-12-17(22-20)18(16)15-10-5-4-9-14(15)13-7-2-1-3-8-13/h1-12H/q+2
InChIKeyDAWLEXPSMKKHHE-UHFFFAOYSA-N
MW284.32 g/mol
LogP5.99
Rot. Bonds2

About 2-(2-phenylphenyl)benzene-1,3-didiazonium

2-(2-phenylphenyl)benzene-1,3-didiazonium (PubChem CID 88746536) has the molecular formula C18H12N4+2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-(2-phenylphenyl)benzene-1,3-didiazonium.

Molecular Properties

Compound Name2-(2-phenylphenyl)benzene-1,3-didiazonium
PubChem CID88746536
Molecular FormulaC18H12N4+2
Molecular Weight284.32 g/mol
Exact Mass284.11
IUPAC Name2-(2-phenylphenyl)benzene-1,3-didiazonium
SMILESN#[N+]c1cccc([N+]#N)c1-c1ccccc1-c1ccccc1
InChIInChI=1S/C18H12N4/c19-21-16-11-6-12-17(22-20)18(16)15-10-5-4-9-14(15)13-7-2-1-3-8-13/h1-12H/q+2
InChIKeyDAWLEXPSMKKHHE-UHFFFAOYSA-N
XLogP5.99
TPSA56.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.32
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylphenyl)benzene-1,3-didiazonium?
The IUPAC name of 2-(2-phenylphenyl)benzene-1,3-didiazonium (CID 88746536) is 2-(2-phenylphenyl)benzene-1,3-didiazonium.
What is the SMILES notation for 2-(2-phenylphenyl)benzene-1,3-didiazonium?
The canonical SMILES for 2-(2-phenylphenyl)benzene-1,3-didiazonium is N#[N+]c1cccc([N+]#N)c1-c1ccccc1-c1ccccc1.
What is the InChIKey of 2-(2-phenylphenyl)benzene-1,3-didiazonium?
The InChIKey is DAWLEXPSMKKHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N4/c19-21-16-11-6-12-17(22-20)18(16)15-10-5-4-9-14(15)13-7-2-1-3-8-13/h1-12H/q+2.
What are the key properties of 2-(2-phenylphenyl)benzene-1,3-didiazonium?
2-(2-phenylphenyl)benzene-1,3-didiazonium has a molecular weight of 284.32 g/mol, XLogP of 5.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylphenyl)benzene-1,3-didiazonium is sourced from PubChem (CID 88746536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).