4-phenylbenzene-1,3-didiazonium dichloride

C12H8Cl2N4 — CID 88741124

IUPAC4-phenylbenzene-1,3-didiazonium dichloride
SMILESN#[N+]c1ccc(-c2ccccc2)c([N+]#N)c1.[Cl-].[Cl-]
InChIInChI=1S/C12H8N4.2ClH/c13-15-10-6-7-11(12(8-10)16-14)9-4-2-1-3-5-9;;/h1-8H;2*1H/q+2;;/p-2
InChIKeyOKFQPJOJLWYNDA-UHFFFAOYSA-L
MW279.13 g/mol
LogP-1.67
Rot. Bonds1

About 4-phenylbenzene-1,3-didiazonium dichloride

4-phenylbenzene-1,3-didiazonium dichloride (PubChem CID 88741124) has the molecular formula C12H8Cl2N4 and a molecular weight of 279.13 g/mol. Its IUPAC name is 4-phenylbenzene-1,3-didiazonium dichloride.

Molecular Properties

Compound Name4-phenylbenzene-1,3-didiazonium dichloride
PubChem CID88741124
Molecular FormulaC12H8Cl2N4
Molecular Weight279.13 g/mol
Exact Mass278.01
IUPAC Name4-phenylbenzene-1,3-didiazonium dichloride
SMILESN#[N+]c1ccc(-c2ccccc2)c([N+]#N)c1.[Cl-].[Cl-]
InChIInChI=1S/C12H8N4.2ClH/c13-15-10-6-7-11(12(8-10)16-14)9-4-2-1-3-5-9;;/h1-8H;2*1H/q+2;;/p-2
InChIKeyOKFQPJOJLWYNDA-UHFFFAOYSA-L
XLogP-1.67
TPSA56.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.13
LogP ≤ 5-1.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bis(3-chloro-4-phenylbenzenediazonium);sulfate
CID 87875650
3-phenylbenzene-1,2-didiazonium
CID 54366733
2-(2-phenylphenyl)benzene-1,3-didiazonium
CID 88746536
benzenediazonium;zinc;dichloride
CID 158959477
2-(2-phenylphenyl)benzene-1,3-didiazonium diperchlorate
CID 88746535
benzenediazonium;sulfane
CID 172792880
benzenediazonium tetratetrafluoroborate
CID 19876590
2,4,6-triphenylbenzenediazonium tetrafluoroborate
CID 134929307
benzene-1,2-didiazonium
CID 22568635
2-hydroxy-5-phenylbenzenediazonium
CID 86129890
zinc;4-aminobenzenediazonium;trichloride
CID 173419318
3,4,5-triphenylaniline
CID 123249258

Frequently Asked Questions

What is the IUPAC name of 4-phenylbenzene-1,3-didiazonium dichloride?
The IUPAC name of 4-phenylbenzene-1,3-didiazonium dichloride (CID 88741124) is 4-phenylbenzene-1,3-didiazonium dichloride.
What is the SMILES notation for 4-phenylbenzene-1,3-didiazonium dichloride?
The canonical SMILES for 4-phenylbenzene-1,3-didiazonium dichloride is N#[N+]c1ccc(-c2ccccc2)c([N+]#N)c1.[Cl-].[Cl-].
What is the InChIKey of 4-phenylbenzene-1,3-didiazonium dichloride?
The InChIKey is OKFQPJOJLWYNDA-UHFFFAOYSA-L. The full InChI is InChI=1S/C12H8N4.2ClH/c13-15-10-6-7-11(12(8-10)16-14)9-4-2-1-3-5-9;;/h1-8H;2*1H/q+2;;/p-2.
What are the key properties of 4-phenylbenzene-1,3-didiazonium dichloride?
4-phenylbenzene-1,3-didiazonium dichloride has a molecular weight of 279.13 g/mol, XLogP of -1.67, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylbenzene-1,3-didiazonium dichloride is sourced from PubChem (CID 88741124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).