4-[tris(4-diazoniophenyl)methyl]benzenediazonium tetratetrafluoroborate

C25H16B4F16N8 — CID 135076116

IUPAC4-[tris(4-diazoniophenyl)methyl]benzenediazonium tetratetrafluoroborate
SMILESF[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.N#[N+]c1ccc(C(c2ccc([N+]#N)cc2)(c2ccc([N+]#N)cc2)c2ccc([N+]#N)cc2)cc1
InChIInChI=1S/C25H16N8.4BF4/c26-30-21-9-1-17(2-10-21)25(18-3-11-22(31-27)12-4-18,19-5-13-23(32-28)14-6-19)20-7-15-24(33-29)16-8-20;4*2-1(3,4)5/h1-16H;;;;/q+4;4*-1
InChIKeyPQCFGXOTKILMAB-UHFFFAOYSA-N
MW775.68 g/mol
LogP13.21
Rot. Bonds4

About 4-[tris(4-diazoniophenyl)methyl]benzenediazonium tetratetrafluoroborate

4-[tris(4-diazoniophenyl)methyl]benzenediazonium tetratetrafluoroborate (PubChem CID 135076116) has the molecular formula C25H16B4F16N8 and a molecular weight of 775.68 g/mol. Its IUPAC name is 4-[tris(4-diazoniophenyl)methyl]benzenediazonium tetratetrafluoroborate.

Molecular Properties

Compound Name4-[tris(4-diazoniophenyl)methyl]benzenediazonium tetratetrafluoroborate
PubChem CID135076116
Molecular FormulaC25H16B4F16N8
Molecular Weight775.68 g/mol
Exact Mass776.16
IUPAC Name4-[tris(4-diazoniophenyl)methyl]benzenediazonium tetratetrafluoroborate
SMILESF[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.N#[N+]c1ccc(C(c2ccc([N+]#N)cc2)(c2ccc([N+]#N)cc2)c2ccc([N+]#N)cc2)cc1
InChIInChI=1S/C25H16N8.4BF4/c26-30-21-9-1-17(2-10-21)25(18-3-11-22(31-27)12-4-18,19-5-13-23(32-28)14-6-19)20-7-15-24(33-29)16-8-20;4*2-1(3,4)5/h1-16H;;;;/q+4;4*-1
InChIKeyPQCFGXOTKILMAB-UHFFFAOYSA-N
XLogP13.21
TPSA112.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500775.68
LogP ≤ 513.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[tris(4-diazoniophenyl)methyl]benzenediazonium tetratetrafluoroborate?
The IUPAC name of 4-[tris(4-diazoniophenyl)methyl]benzenediazonium tetratetrafluoroborate (CID 135076116) is 4-[tris(4-diazoniophenyl)methyl]benzenediazonium tetratetrafluoroborate.
What is the SMILES notation for 4-[tris(4-diazoniophenyl)methyl]benzenediazonium tetratetrafluoroborate?
The canonical SMILES for 4-[tris(4-diazoniophenyl)methyl]benzenediazonium tetratetrafluoroborate is F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.N#[N+]c1ccc(C(c2ccc([N+]#N)cc2)(c2ccc([N+]#N)cc2)c2ccc([N+]#N)cc2)cc1.
What is the InChIKey of 4-[tris(4-diazoniophenyl)methyl]benzenediazonium tetratetrafluoroborate?
The InChIKey is PQCFGXOTKILMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16N8.4BF4/c26-30-21-9-1-17(2-10-21)25(18-3-11-22(31-27)12-4-18,19-5-13-23(32-28)14-6-19)20-7-15-24(33-29)16-8-20;4*2-1(3,4)5/h1-16H;;;;/q+4;4*-1.
What are the key properties of 4-[tris(4-diazoniophenyl)methyl]benzenediazonium tetratetrafluoroborate?
4-[tris(4-diazoniophenyl)methyl]benzenediazonium tetratetrafluoroborate has a molecular weight of 775.68 g/mol, XLogP of 13.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tris(4-diazoniophenyl)methyl]benzenediazonium tetratetrafluoroborate is sourced from PubChem (CID 135076116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).