1,2,4-triphenyl-6-pyridin-2-ylpyridin-1-ium tetrafluoroborate

C28H21BF4N2 — CID 13016817

IUPAC1,2,4-triphenyl-6-pyridin-2-ylpyridin-1-ium tetrafluoroborate
SMILESF[B-](F)(F)F.c1ccc(-c2cc(-c3ccccc3)[n+](-c3ccccc3)c(-c3ccccn3)c2)cc1
InChIInChI=1S/C28H21N2.BF4/c1-4-12-22(13-5-1)24-20-27(23-14-6-2-7-15-23)30(25-16-8-3-9-17-25)28(21-24)26-18-10-11-19-29-26;2-1(3,4)5/h1-21H;/q+1;-1
InChIKeyIVTBLTWUYXXUGB-UHFFFAOYSA-N
MW472.29 g/mol
LogP7.66
Rot. Bonds4

About 1,2,4-triphenyl-6-pyridin-2-ylpyridin-1-ium tetrafluoroborate

1,2,4-triphenyl-6-pyridin-2-ylpyridin-1-ium tetrafluoroborate (PubChem CID 13016817) has the molecular formula C28H21BF4N2 and a molecular weight of 472.29 g/mol. Its IUPAC name is 1,2,4-triphenyl-6-pyridin-2-ylpyridin-1-ium tetrafluoroborate.

Molecular Properties

Compound Name1,2,4-triphenyl-6-pyridin-2-ylpyridin-1-ium tetrafluoroborate
PubChem CID13016817
Molecular FormulaC28H21BF4N2
Molecular Weight472.29 g/mol
Exact Mass472.17
IUPAC Name1,2,4-triphenyl-6-pyridin-2-ylpyridin-1-ium tetrafluoroborate
SMILESF[B-](F)(F)F.c1ccc(-c2cc(-c3ccccc3)[n+](-c3ccccc3)c(-c3ccccn3)c2)cc1
InChIInChI=1S/C28H21N2.BF4/c1-4-12-22(13-5-1)24-20-27(23-14-6-2-7-15-23)30(25-16-8-3-9-17-25)28(21-24)26-18-10-11-19-29-26;2-1(3,4)5/h1-21H;/q+1;-1
InChIKeyIVTBLTWUYXXUGB-UHFFFAOYSA-N
XLogP7.66
TPSA16.77 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.29
LogP ≤ 57.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-2,4-diphenyl-6-pyridin-2-ylpyridin-1-ium tetrafluoroborate
CID 13016807
4-(2,6-diphenyl-4-pyridin-4-ylpyridin-1-ium-1-yl)-2,6-dipyridin-2-ylphenol
CID 135409880
2,4-diphenyl-1-prop-2-enyl-6-pyridin-2-ylpyridin-1-ium
CID 3756688
2-methyl-1,4,6-triphenylpyridin-1-ium
CID 3702073
oxido(trioxo)rhenium;1,2,4,6-tetraphenylpyridin-1-ium
CID 21324133
2-pyridin-2-ylpyridine tetrafluoroborate
CID 87562817
1-[4-[3,5-bis(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-4-(4-tert-butylphenyl)-2,6-bis[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]pyridin-1-ium
CID 132525493
4-phenyl-2-[6-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]-6-pyridin-2-ylpyridine
CID 15788654
4-(2,4,6-triphenylpyridin-1-ium-1-yl)benzoic acid
CID 3720319
2-[3-[4-[4-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyridine
CID 171461302
4-(4-methylphenyl)-2,6-diphenyl-1-pyridin-2-ylpyridin-1-ium perchlorate
CID 12627150
2-chloro-4-(2,4,6-triphenylpyridin-1-ium-1-yl)phenolate
CID 142748320

Frequently Asked Questions

What is the IUPAC name of 1,2,4-triphenyl-6-pyridin-2-ylpyridin-1-ium tetrafluoroborate?
The IUPAC name of 1,2,4-triphenyl-6-pyridin-2-ylpyridin-1-ium tetrafluoroborate (CID 13016817) is 1,2,4-triphenyl-6-pyridin-2-ylpyridin-1-ium tetrafluoroborate.
What is the SMILES notation for 1,2,4-triphenyl-6-pyridin-2-ylpyridin-1-ium tetrafluoroborate?
The canonical SMILES for 1,2,4-triphenyl-6-pyridin-2-ylpyridin-1-ium tetrafluoroborate is F[B-](F)(F)F.c1ccc(-c2cc(-c3ccccc3)[n+](-c3ccccc3)c(-c3ccccn3)c2)cc1.
What is the InChIKey of 1,2,4-triphenyl-6-pyridin-2-ylpyridin-1-ium tetrafluoroborate?
The InChIKey is IVTBLTWUYXXUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21N2.BF4/c1-4-12-22(13-5-1)24-20-27(23-14-6-2-7-15-23)30(25-16-8-3-9-17-25)28(21-24)26-18-10-11-19-29-26;2-1(3,4)5/h1-21H;/q+1;-1.
What are the key properties of 1,2,4-triphenyl-6-pyridin-2-ylpyridin-1-ium tetrafluoroborate?
1,2,4-triphenyl-6-pyridin-2-ylpyridin-1-ium tetrafluoroborate has a molecular weight of 472.29 g/mol, XLogP of 7.66, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-triphenyl-6-pyridin-2-ylpyridin-1-ium tetrafluoroborate is sourced from PubChem (CID 13016817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).