tetrakis(1-methylpyridin-1-ium-2-yl)boranuide

C24H28BN4+3 — CID 123631550

IUPACtetrakis(1-methylpyridin-1-ium-2-yl)boranuide
SMILESC[n+]1ccccc1[B-](c1cccc[n+]1C)(c1cccc[n+]1C)c1cccc[n+]1C
InChIInChI=1S/C24H28BN4/c1-26-17-9-5-13-21(26)25(22-14-6-10-18-27(22)2,23-15-7-11-19-28(23)3)24-16-8-12-20-29(24)4/h5-20H,1-4H3/q+3
InChIKeySULSGILZPOKBOD-UHFFFAOYSA-N
MW383.33 g/mol
LogP-1.64
Rot. Bonds4

About tetrakis(1-methylpyridin-1-ium-2-yl)boranuide

tetrakis(1-methylpyridin-1-ium-2-yl)boranuide (PubChem CID 123631550) has the molecular formula C24H28BN4+3 and a molecular weight of 383.33 g/mol. Its IUPAC name is tetrakis(1-methylpyridin-1-ium-2-yl)boranuide.

Molecular Properties

Compound Nametetrakis(1-methylpyridin-1-ium-2-yl)boranuide
PubChem CID123631550
Molecular FormulaC24H28BN4+3
Molecular Weight383.33 g/mol
Exact Mass383.24
IUPAC Nametetrakis(1-methylpyridin-1-ium-2-yl)boranuide
SMILESC[n+]1ccccc1[B-](c1cccc[n+]1C)(c1cccc[n+]1C)c1cccc[n+]1C
InChIInChI=1S/C24H28BN4/c1-26-17-9-5-13-21(26)25(22-14-6-10-18-27(22)2,23-15-7-11-19-28(23)3)24-16-8-12-20-29(24)4/h5-20H,1-4H3/q+3
InChIKeySULSGILZPOKBOD-UHFFFAOYSA-N
XLogP-1.64
TPSA15.52 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.33
LogP ≤ 5-1.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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-methyl-2-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium dichloride
CID 69331009
1,2-dimethylpyridin-1-ium;methane
CID 162122842
1,2-dimethylpyridin-1-ium;ethane;methane
CID 161162083
1-methyl-2,6-bis(1-methylpyridin-1-ium-2-yl)pyridin-1-ium
CID 58150990
1-methyl-2-[3-(1-methylpyridin-1-ium-2-yl)propyl]pyridin-1-ium
CID 58017438
1-methyl-2-[(2R)-3-methylbutan-2-yl]pyridin-1-ium
CID 140720296
2,4,6-tris(1-methylpyridin-1-ium-2-yl)-1,3,5-triazine triiodide
CID 153315437
1,2,3-trimethylpyridin-1-ium;hydrobromide
CID 18985420
1,2-dimethylpyridin-1-ium-3-ol
CID 4271972
1,12-dimethylbenzo[f][1,10]phenanthroline-1,12-diium
CID 123562585
1-methyl-2-[[(1-methylpyridin-1-ium-2-yl)methyldisulfanyl]methyl]pyridin-1-ium diiodide
CID 172728060
magnesium;hydride;trimethyl-(1-methylpyridin-1-ium-2-yl)silane;iodide
CID 174896070

Frequently Asked Questions

What is the IUPAC name of tetrakis(1-methylpyridin-1-ium-2-yl)boranuide?
The IUPAC name of tetrakis(1-methylpyridin-1-ium-2-yl)boranuide (CID 123631550) is tetrakis(1-methylpyridin-1-ium-2-yl)boranuide.
What is the SMILES notation for tetrakis(1-methylpyridin-1-ium-2-yl)boranuide?
The canonical SMILES for tetrakis(1-methylpyridin-1-ium-2-yl)boranuide is C[n+]1ccccc1[B-](c1cccc[n+]1C)(c1cccc[n+]1C)c1cccc[n+]1C.
What is the InChIKey of tetrakis(1-methylpyridin-1-ium-2-yl)boranuide?
The InChIKey is SULSGILZPOKBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28BN4/c1-26-17-9-5-13-21(26)25(22-14-6-10-18-27(22)2,23-15-7-11-19-28(23)3)24-16-8-12-20-29(24)4/h5-20H,1-4H3/q+3.
What are the key properties of tetrakis(1-methylpyridin-1-ium-2-yl)boranuide?
tetrakis(1-methylpyridin-1-ium-2-yl)boranuide has a molecular weight of 383.33 g/mol, XLogP of -1.64, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(1-methylpyridin-1-ium-2-yl)boranuide is sourced from PubChem (CID 123631550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).