2,4,6-triphenylbenzenediazonium tetrafluoroborate

C24H17BF4N2 — CID 134929307

IUPAC2,4,6-triphenylbenzenediazonium tetrafluoroborate
SMILESF[B-](F)(F)F.N#[N+]c1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1
InChIInChI=1S/C24H17N2.BF4/c25-26-24-22(19-12-6-2-7-13-19)16-21(18-10-4-1-5-11-18)17-23(24)20-14-8-3-9-15-20;2-1(3,4)5/h1-17H;/q+1;-1
InChIKeyKAOBCFVMYKNLNZ-UHFFFAOYSA-N
MW420.22 g/mol
LogP8.47
Rot. Bonds3

About 2,4,6-triphenylbenzenediazonium tetrafluoroborate

2,4,6-triphenylbenzenediazonium tetrafluoroborate (PubChem CID 134929307) has the molecular formula C24H17BF4N2 and a molecular weight of 420.22 g/mol. Its IUPAC name is 2,4,6-triphenylbenzenediazonium tetrafluoroborate.

Molecular Properties

Compound Name2,4,6-triphenylbenzenediazonium tetrafluoroborate
PubChem CID134929307
Molecular FormulaC24H17BF4N2
Molecular Weight420.22 g/mol
Exact Mass420.14
IUPAC Name2,4,6-triphenylbenzenediazonium tetrafluoroborate
SMILESF[B-](F)(F)F.N#[N+]c1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1
InChIInChI=1S/C24H17N2.BF4/c25-26-24-22(19-12-6-2-7-13-19)16-21(18-10-4-1-5-11-18)17-23(24)20-14-8-3-9-15-20;2-1(3,4)5/h1-17H;/q+1;-1
InChIKeyKAOBCFVMYKNLNZ-UHFFFAOYSA-N
XLogP8.47
TPSA28.15 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.22
LogP ≤ 58.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-1,3,5-triphenylbenzene
CID 146653815
2,4,6-tris(4-phenylphenyl)aniline
CID 4248420
benzenediazonium tetratetrafluoroborate
CID 19876590
2-(2-diazoniophenyl)-3,4,5,6-tetraphenylbenzenediazonium tetrafluoroborate
CID 88741603
3-phenylbenzene-1,2-didiazonium
CID 54366733
4,9,14,19,24-pentakis-phenylhexacyclo[20.3.1.12,6.17,11.112,16.117,21]triaconta-1(26),2(30),3,5,7(29),8,10,12(28),13,15,17,19,21(27),22,24-pentadecaene
CID 177480216
1,3,5-triphenylbenzene
CID 158331433
1,2,4-triphenylbenzene;1,3,5-triphenylbenzene
CID 162004033
5-(3,5-diphenylphenyl)-2-methyl-1,3-diphenylbenzene
CID 58760870
1,2,4-triphenylbenzene
CID 518325
2-(4-phenylphenyl)bicyclo[2.2.0]hexa-1,3,5-triene
CID 174878589
11-phenylnonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-1(32),2(48),3,5(47),6(46),7,9(45),10,12,14(42),15,17(41),18,20,22,24,26,28,30,33,35,37,39,43-tetracosaene
CID 135036112

Frequently Asked Questions

What is the IUPAC name of 2,4,6-triphenylbenzenediazonium tetrafluoroborate?
The IUPAC name of 2,4,6-triphenylbenzenediazonium tetrafluoroborate (CID 134929307) is 2,4,6-triphenylbenzenediazonium tetrafluoroborate.
What is the SMILES notation for 2,4,6-triphenylbenzenediazonium tetrafluoroborate?
The canonical SMILES for 2,4,6-triphenylbenzenediazonium tetrafluoroborate is F[B-](F)(F)F.N#[N+]c1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1.
What is the InChIKey of 2,4,6-triphenylbenzenediazonium tetrafluoroborate?
The InChIKey is KAOBCFVMYKNLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N2.BF4/c25-26-24-22(19-12-6-2-7-13-19)16-21(18-10-4-1-5-11-18)17-23(24)20-14-8-3-9-15-20;2-1(3,4)5/h1-17H;/q+1;-1.
What are the key properties of 2,4,6-triphenylbenzenediazonium tetrafluoroborate?
2,4,6-triphenylbenzenediazonium tetrafluoroborate has a molecular weight of 420.22 g/mol, XLogP of 8.47, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-triphenylbenzenediazonium tetrafluoroborate is sourced from PubChem (CID 134929307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).