pyrene-1-diazonium

C16H9N2+ — CID 4586095

IUPACpyrene-1-diazonium
SMILESN#[N+]c1ccc2ccc3cccc4ccc1c2c34
InChIInChI=1S/C16H9N2/c17-18-14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9H/q+1
InChIKeyBWHQWOHPLXSTGY-UHFFFAOYSA-N
MW229.26 g/mol
LogP5.07
Rot. Bonds

About pyrene-1-diazonium

pyrene-1-diazonium (PubChem CID 4586095) has the molecular formula C16H9N2+ and a molecular weight of 229.26 g/mol. Its IUPAC name is pyrene-1-diazonium.

Molecular Properties

Compound Namepyrene-1-diazonium
PubChem CID4586095
Molecular FormulaC16H9N2+
Molecular Weight229.26 g/mol
Exact Mass229.08
IUPAC Namepyrene-1-diazonium
SMILESN#[N+]c1ccc2ccc3cccc4ccc1c2c34
InChIInChI=1S/C16H9N2/c17-18-14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9H/q+1
InChIKeyBWHQWOHPLXSTGY-UHFFFAOYSA-N
XLogP5.07
TPSA28.15 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500229.26
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of pyrene-1-diazonium?
The IUPAC name of pyrene-1-diazonium (CID 4586095) is pyrene-1-diazonium.
What is the SMILES notation for pyrene-1-diazonium?
The canonical SMILES for pyrene-1-diazonium is N#[N+]c1ccc2ccc3cccc4ccc1c2c34.
What is the InChIKey of pyrene-1-diazonium?
The InChIKey is BWHQWOHPLXSTGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9N2/c17-18-14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9H/q+1.
What are the key properties of pyrene-1-diazonium?
pyrene-1-diazonium has a molecular weight of 229.26 g/mol, XLogP of 5.07, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pyrene-1-diazonium is sourced from PubChem (CID 4586095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).