4-[2-[4-[4-[2-(4-diazoniophenyl)ethyl]phenyl]phenyl]ethyl]benzenediazonium

C28H24N4+2 — CID 100984232

IUPAC4-[2-[4-[4-[2-(4-diazoniophenyl)ethyl]phenyl]phenyl]ethyl]benzenediazonium
SMILESN#[N+]c1ccc(CCc2ccc(-c3ccc(CCc4ccc([N+]#N)cc4)cc3)cc2)cc1
InChIInChI=1S/C28H24N4/c29-31-27-17-9-23(10-18-27)3-1-21-5-13-25(14-6-21)26-15-7-22(8-16-26)2-4-24-11-19-28(32-30)20-12-24/h5-20H,1-4H2/q+2
InChIKeyUWPDTSAOALVAOT-UHFFFAOYSA-N
MW416.53 g/mol
LogP7.89
Rot. Bonds7

About 4-[2-[4-[4-[2-(4-diazoniophenyl)ethyl]phenyl]phenyl]ethyl]benzenediazonium

4-[2-[4-[4-[2-(4-diazoniophenyl)ethyl]phenyl]phenyl]ethyl]benzenediazonium (PubChem CID 100984232) has the molecular formula C28H24N4+2 and a molecular weight of 416.53 g/mol. Its IUPAC name is 4-[2-[4-[4-[2-(4-diazoniophenyl)ethyl]phenyl]phenyl]ethyl]benzenediazonium.

Molecular Properties

Compound Name4-[2-[4-[4-[2-(4-diazoniophenyl)ethyl]phenyl]phenyl]ethyl]benzenediazonium
PubChem CID100984232
Molecular FormulaC28H24N4+2
Molecular Weight416.53 g/mol
Exact Mass416.20
IUPAC Name4-[2-[4-[4-[2-(4-diazoniophenyl)ethyl]phenyl]phenyl]ethyl]benzenediazonium
SMILESN#[N+]c1ccc(CCc2ccc(-c3ccc(CCc4ccc([N+]#N)cc4)cc3)cc2)cc1
InChIInChI=1S/C28H24N4/c29-31-27-17-9-23(10-18-27)3-1-21-5-13-25(14-6-21)26-15-7-22(8-16-26)2-4-24-11-19-28(32-30)20-12-24/h5-20H,1-4H2/q+2
InChIKeyUWPDTSAOALVAOT-UHFFFAOYSA-N
XLogP7.89
TPSA56.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.53
LogP ≤ 57.89
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

4-(aminomethyl)benzenediazonium
CID 21133492
4-nonadec-18-enylbenzenediazonium
CID 88673652
4-propylbenzenediazonium tetrafluoroborate
CID 82974034
4-hexadecylbenzenediazonium chloride
CID 88673679
4-icosylbenzenediazonium;zinc;dichloride
CID 161323035
4-(isocyanomethyl)benzenediazonium
CID 59660828
4-[2-[4-[4-[2-(4-hydroxyphenyl)ethyl]phenyl]phenyl]ethyl]phenol
CID 171715473
4-(2-carboxyethyl)benzenediazonium;hydrogen sulfate
CID 24834554
benzene-1,4-didiazonium tetrafluoroborate
CID 87828141
4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]benzenediazonium tetrafluoroborate
CID 87207781
1-methyl-4-[4-[2-(4-propylphenyl)ethyl]phenyl]benzene
CID 140875006
1-[4-[2-[4-[4-[2-[4-(2,5-dioxopyrrol-1-yl)phenyl]ethyl]phenyl]phenyl]ethyl]phenyl]pyrrole-2,5-dione
CID 153418506

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[4-[2-(4-diazoniophenyl)ethyl]phenyl]phenyl]ethyl]benzenediazonium?
The IUPAC name of 4-[2-[4-[4-[2-(4-diazoniophenyl)ethyl]phenyl]phenyl]ethyl]benzenediazonium (CID 100984232) is 4-[2-[4-[4-[2-(4-diazoniophenyl)ethyl]phenyl]phenyl]ethyl]benzenediazonium.
What is the SMILES notation for 4-[2-[4-[4-[2-(4-diazoniophenyl)ethyl]phenyl]phenyl]ethyl]benzenediazonium?
The canonical SMILES for 4-[2-[4-[4-[2-(4-diazoniophenyl)ethyl]phenyl]phenyl]ethyl]benzenediazonium is N#[N+]c1ccc(CCc2ccc(-c3ccc(CCc4ccc([N+]#N)cc4)cc3)cc2)cc1.
What is the InChIKey of 4-[2-[4-[4-[2-(4-diazoniophenyl)ethyl]phenyl]phenyl]ethyl]benzenediazonium?
The InChIKey is UWPDTSAOALVAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N4/c29-31-27-17-9-23(10-18-27)3-1-21-5-13-25(14-6-21)26-15-7-22(8-16-26)2-4-24-11-19-28(32-30)20-12-24/h5-20H,1-4H2/q+2.
What are the key properties of 4-[2-[4-[4-[2-(4-diazoniophenyl)ethyl]phenyl]phenyl]ethyl]benzenediazonium?
4-[2-[4-[4-[2-(4-diazoniophenyl)ethyl]phenyl]phenyl]ethyl]benzenediazonium has a molecular weight of 416.53 g/mol, XLogP of 7.89, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[4-[2-(4-diazoniophenyl)ethyl]phenyl]phenyl]ethyl]benzenediazonium is sourced from PubChem (CID 100984232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).