3-phenylbenzene-1,2-didiazonium

C12H8N4+2 — CID 54366733

IUPAC3-phenylbenzene-1,2-didiazonium
SMILESN#[N+]c1cccc(-c2ccccc2)c1[N+]#N
InChIInChI=1S/C12H8N4/c13-15-11-8-4-7-10(12(11)16-14)9-5-2-1-3-6-9/h1-8H/q+2
InChIKeyUQHRWCLOVYZKFT-UHFFFAOYSA-N
MW208.22 g/mol
LogP4.32
Rot. Bonds1

About 3-phenylbenzene-1,2-didiazonium

3-phenylbenzene-1,2-didiazonium (PubChem CID 54366733) has the molecular formula C12H8N4+2 and a molecular weight of 208.22 g/mol. Its IUPAC name is 3-phenylbenzene-1,2-didiazonium.

Molecular Properties

Compound Name3-phenylbenzene-1,2-didiazonium
PubChem CID54366733
Molecular FormulaC12H8N4+2
Molecular Weight208.22 g/mol
Exact Mass208.07
IUPAC Name3-phenylbenzene-1,2-didiazonium
SMILESN#[N+]c1cccc(-c2ccccc2)c1[N+]#N
InChIInChI=1S/C12H8N4/c13-15-11-8-4-7-10(12(11)16-14)9-5-2-1-3-6-9/h1-8H/q+2
InChIKeyUQHRWCLOVYZKFT-UHFFFAOYSA-N
XLogP4.32
TPSA56.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 54.32
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 3-phenylbenzene-1,2-didiazonium?
The IUPAC name of 3-phenylbenzene-1,2-didiazonium (CID 54366733) is 3-phenylbenzene-1,2-didiazonium.
What is the SMILES notation for 3-phenylbenzene-1,2-didiazonium?
The canonical SMILES for 3-phenylbenzene-1,2-didiazonium is N#[N+]c1cccc(-c2ccccc2)c1[N+]#N.
What is the InChIKey of 3-phenylbenzene-1,2-didiazonium?
The InChIKey is UQHRWCLOVYZKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N4/c13-15-11-8-4-7-10(12(11)16-14)9-5-2-1-3-6-9/h1-8H/q+2.
What are the key properties of 3-phenylbenzene-1,2-didiazonium?
3-phenylbenzene-1,2-didiazonium has a molecular weight of 208.22 g/mol, XLogP of 4.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylbenzene-1,2-didiazonium is sourced from PubChem (CID 54366733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).