2-(2-diazoniophenyl)-3,4,5,6-tetraphenylbenzenediazonium tetrafluoroborate

C36H24BF4N4+ — CID 88741603

IUPAC2-(2-diazoniophenyl)-3,4,5,6-tetraphenylbenzenediazonium tetrafluoroborate
SMILESF[B-](F)(F)F.N#[N+]c1ccccc1-c1c([N+]#N)c(-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C36H24N4.BF4/c37-39-30-24-14-13-23-29(30)35-33(27-19-9-3-10-20-27)31(25-15-5-1-6-16-25)32(26-17-7-2-8-18-26)34(36(35)40-38)28-21-11-4-12-22-28;2-1(3,4)5/h1-24H;/q+2;-1
InChIKeyNLUMIZWIDQAUCV-UHFFFAOYSA-N
MW599.42 g/mol
LogP12.29
Rot. Bonds5

About 2-(2-diazoniophenyl)-3,4,5,6-tetraphenylbenzenediazonium tetrafluoroborate

2-(2-diazoniophenyl)-3,4,5,6-tetraphenylbenzenediazonium tetrafluoroborate (PubChem CID 88741603) has the molecular formula C36H24BF4N4+ and a molecular weight of 599.42 g/mol. Its IUPAC name is 2-(2-diazoniophenyl)-3,4,5,6-tetraphenylbenzenediazonium tetrafluoroborate.

Molecular Properties

Compound Name2-(2-diazoniophenyl)-3,4,5,6-tetraphenylbenzenediazonium tetrafluoroborate
PubChem CID88741603
Molecular FormulaC36H24BF4N4+
Molecular Weight599.42 g/mol
Exact Mass599.20
IUPAC Name2-(2-diazoniophenyl)-3,4,5,6-tetraphenylbenzenediazonium tetrafluoroborate
SMILESF[B-](F)(F)F.N#[N+]c1ccccc1-c1c([N+]#N)c(-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C36H24N4.BF4/c37-39-30-24-14-13-23-29(30)35-33(27-19-9-3-10-20-27)31(25-15-5-1-6-16-25)32(26-17-7-2-8-18-26)34(36(35)40-38)28-21-11-4-12-22-28;2-1(3,4)5/h1-24H;/q+2;-1
InChIKeyNLUMIZWIDQAUCV-UHFFFAOYSA-N
XLogP12.29
TPSA56.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.42
LogP ≤ 512.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-diazoniophenyl)-3,4,5,6-tetraphenylbenzenediazonium tetrafluoroborate?
The IUPAC name of 2-(2-diazoniophenyl)-3,4,5,6-tetraphenylbenzenediazonium tetrafluoroborate (CID 88741603) is 2-(2-diazoniophenyl)-3,4,5,6-tetraphenylbenzenediazonium tetrafluoroborate.
What is the SMILES notation for 2-(2-diazoniophenyl)-3,4,5,6-tetraphenylbenzenediazonium tetrafluoroborate?
The canonical SMILES for 2-(2-diazoniophenyl)-3,4,5,6-tetraphenylbenzenediazonium tetrafluoroborate is F[B-](F)(F)F.N#[N+]c1ccccc1-c1c([N+]#N)c(-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 2-(2-diazoniophenyl)-3,4,5,6-tetraphenylbenzenediazonium tetrafluoroborate?
The InChIKey is NLUMIZWIDQAUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24N4.BF4/c37-39-30-24-14-13-23-29(30)35-33(27-19-9-3-10-20-27)31(25-15-5-1-6-16-25)32(26-17-7-2-8-18-26)34(36(35)40-38)28-21-11-4-12-22-28;2-1(3,4)5/h1-24H;/q+2;-1.
What are the key properties of 2-(2-diazoniophenyl)-3,4,5,6-tetraphenylbenzenediazonium tetrafluoroborate?
2-(2-diazoniophenyl)-3,4,5,6-tetraphenylbenzenediazonium tetrafluoroborate has a molecular weight of 599.42 g/mol, XLogP of 12.29, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-diazoniophenyl)-3,4,5,6-tetraphenylbenzenediazonium tetrafluoroborate is sourced from PubChem (CID 88741603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).