4-anilinonaphthalene-1-diazonium

C16H12N3+ — CID 19777771

IUPAC4-anilinonaphthalene-1-diazonium
SMILESN#[N+]c1ccc(Nc2ccccc2)c2ccccc12
InChIInChI=1S/C16H12N3/c17-19-16-11-10-15(13-8-4-5-9-14(13)16)18-12-6-2-1-3-7-12/h1-11,18H/q+1
InChIKeyBEPBGSLNWVXJFI-UHFFFAOYSA-N
MW246.29 g/mol
LogP5.07
Rot. Bonds2

About 4-anilinonaphthalene-1-diazonium

4-anilinonaphthalene-1-diazonium (PubChem CID 19777771) has the molecular formula C16H12N3+ and a molecular weight of 246.29 g/mol. Its IUPAC name is 4-anilinonaphthalene-1-diazonium.

Molecular Properties

Compound Name4-anilinonaphthalene-1-diazonium
PubChem CID19777771
Molecular FormulaC16H12N3+
Molecular Weight246.29 g/mol
Exact Mass246.10
IUPAC Name4-anilinonaphthalene-1-diazonium
SMILESN#[N+]c1ccc(Nc2ccccc2)c2ccccc12
InChIInChI=1S/C16H12N3/c17-19-16-11-10-15(13-8-4-5-9-14(13)16)18-12-6-2-1-3-7-12/h1-11,18H/q+1
InChIKeyBEPBGSLNWVXJFI-UHFFFAOYSA-N
XLogP5.07
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.29
LogP ≤ 55.07
H-Bond Donors ≤ 51
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 4-anilinonaphthalene-1-diazonium?
The IUPAC name of 4-anilinonaphthalene-1-diazonium (CID 19777771) is 4-anilinonaphthalene-1-diazonium.
What is the SMILES notation for 4-anilinonaphthalene-1-diazonium?
The canonical SMILES for 4-anilinonaphthalene-1-diazonium is N#[N+]c1ccc(Nc2ccccc2)c2ccccc12.
What is the InChIKey of 4-anilinonaphthalene-1-diazonium?
The InChIKey is BEPBGSLNWVXJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N3/c17-19-16-11-10-15(13-8-4-5-9-14(13)16)18-12-6-2-1-3-7-12/h1-11,18H/q+1.
What are the key properties of 4-anilinonaphthalene-1-diazonium?
4-anilinonaphthalene-1-diazonium has a molecular weight of 246.29 g/mol, XLogP of 5.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilinonaphthalene-1-diazonium is sourced from PubChem (CID 19777771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).