N'-(2,4,6-triphenylpyridin-1-ium-1-yl)benzenecarboximidamide tetrafluoroborate

C30H24BF4N3 — CID 12915373

IUPACN'-(2,4,6-triphenylpyridin-1-ium-1-yl)benzenecarboximidamide tetrafluoroborate
SMILESF[B-](F)(F)F.N/C(=N\[n+]1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1)c1ccccc1
InChIInChI=1S/C30H24N3.BF4/c31-30(26-19-11-4-12-20-26)32-33-28(24-15-7-2-8-16-24)21-27(23-13-5-1-6-14-23)22-29(33)25-17-9-3-10-18-25;2-1(3,4)5/h1-22H,(H2,31,32);/q+1;-1
InChIKeyNZGDTDGMKHPIDL-UHFFFAOYSA-N
MW513.35 g/mol
LogP7.44
Rot. Bonds5

About N'-(2,4,6-triphenylpyridin-1-ium-1-yl)benzenecarboximidamide tetrafluoroborate

N'-(2,4,6-triphenylpyridin-1-ium-1-yl)benzenecarboximidamide tetrafluoroborate (PubChem CID 12915373) has the molecular formula C30H24BF4N3 and a molecular weight of 513.35 g/mol. Its IUPAC name is N'-(2,4,6-triphenylpyridin-1-ium-1-yl)benzenecarboximidamide tetrafluoroborate.

Molecular Properties

Compound NameN'-(2,4,6-triphenylpyridin-1-ium-1-yl)benzenecarboximidamide tetrafluoroborate
PubChem CID12915373
Molecular FormulaC30H24BF4N3
Molecular Weight513.35 g/mol
Exact Mass513.20
IUPAC NameN'-(2,4,6-triphenylpyridin-1-ium-1-yl)benzenecarboximidamide tetrafluoroborate
SMILESF[B-](F)(F)F.N/C(=N\[n+]1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1)c1ccccc1
InChIInChI=1S/C30H24N3.BF4/c31-30(26-19-11-4-12-20-26)32-33-28(24-15-7-2-8-16-24)21-27(23-13-5-1-6-14-23)22-29(33)25-17-9-3-10-18-25;2-1(3,4)5/h1-22H,(H2,31,32);/q+1;-1
InChIKeyNZGDTDGMKHPIDL-UHFFFAOYSA-N
XLogP7.44
TPSA42.26 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.35
LogP ≤ 57.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(2,4,6-triphenylpyridin-1-ium-1-yl)benzenecarboximidamide tetrafluoroborate?
The IUPAC name of N'-(2,4,6-triphenylpyridin-1-ium-1-yl)benzenecarboximidamide tetrafluoroborate (CID 12915373) is N'-(2,4,6-triphenylpyridin-1-ium-1-yl)benzenecarboximidamide tetrafluoroborate.
What is the SMILES notation for N'-(2,4,6-triphenylpyridin-1-ium-1-yl)benzenecarboximidamide tetrafluoroborate?
The canonical SMILES for N'-(2,4,6-triphenylpyridin-1-ium-1-yl)benzenecarboximidamide tetrafluoroborate is F[B-](F)(F)F.N/C(=N\[n+]1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1)c1ccccc1.
What is the InChIKey of N'-(2,4,6-triphenylpyridin-1-ium-1-yl)benzenecarboximidamide tetrafluoroborate?
The InChIKey is NZGDTDGMKHPIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N3.BF4/c31-30(26-19-11-4-12-20-26)32-33-28(24-15-7-2-8-16-24)21-27(23-13-5-1-6-14-23)22-29(33)25-17-9-3-10-18-25;2-1(3,4)5/h1-22H,(H2,31,32);/q+1;-1.
What are the key properties of N'-(2,4,6-triphenylpyridin-1-ium-1-yl)benzenecarboximidamide tetrafluoroborate?
N'-(2,4,6-triphenylpyridin-1-ium-1-yl)benzenecarboximidamide tetrafluoroborate has a molecular weight of 513.35 g/mol, XLogP of 7.44, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,4,6-triphenylpyridin-1-ium-1-yl)benzenecarboximidamide tetrafluoroborate is sourced from PubChem (CID 12915373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).