(3-diphenylarsanylphenyl)-trimethylazanium

C21H23AsN+ — CID 23267839

IUPAC(3-diphenylarsanylphenyl)-trimethylazanium
SMILESC[N+](C)(C)c1cccc([As](c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C21H23AsN/c1-23(2,3)21-16-10-15-20(17-21)22(18-11-6-4-7-12-18)19-13-8-5-9-14-19/h4-17H,1-3H3/q+1
InChIKeyAZWZKVYHCVYGIV-UHFFFAOYSA-N
MW364.34 g/mol
LogP2.40
Rot. Bonds4

About (3-diphenylarsanylphenyl)-trimethylazanium

(3-diphenylarsanylphenyl)-trimethylazanium (PubChem CID 23267839) has the molecular formula C21H23AsN+ and a molecular weight of 364.34 g/mol. Its IUPAC name is (3-diphenylarsanylphenyl)-trimethylazanium.

Molecular Properties

Compound Name(3-diphenylarsanylphenyl)-trimethylazanium
PubChem CID23267839
Molecular FormulaC21H23AsN+
Molecular Weight364.34 g/mol
Exact Mass364.10
IUPAC Name(3-diphenylarsanylphenyl)-trimethylazanium
SMILESC[N+](C)(C)c1cccc([As](c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C21H23AsN/c1-23(2,3)21-16-10-15-20(17-21)22(18-11-6-4-7-12-18)19-13-8-5-9-14-19/h4-17H,1-3H3/q+1
InChIKeyAZWZKVYHCVYGIV-UHFFFAOYSA-N
XLogP2.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.34
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

dimethyl-(113C)methyl-phenylazanium iodide
CID 11334548
trimethyl(phenyl)azanium fluoride
CID 15787908
palladium;bis(triphenylarsane)
CID 10919635
(4-diphenylarsanylphenyl)-diphenylarsane
CID 71350968
chloroalumane;trimethyl(phenyl)azanium;chloride
CID 173074857
carbon monoxide;molybdenum;tris(triphenylarsane)
CID 134902628
azane;trimethyl(phenyl)azanium;hexafluorophosphate
CID 175267450
ethanolate;trimethyl(phenyl)azanium
CID 12512092
carbanide;bis((18F)fluorobenzene);methylazanide;trimethyl(phenyl)azanium;tris(yttrium)
CID 159524097
trimethyl(phenyl)azanium permanganate
CID 134811481
tetraphenylboranuide;trimethyl(phenyl)azanium
CID 12504234
fluoro(dioxido)borane;bis(trimethyl(phenyl)azanium)
CID 66672523

Frequently Asked Questions

What is the IUPAC name of (3-diphenylarsanylphenyl)-trimethylazanium?
The IUPAC name of (3-diphenylarsanylphenyl)-trimethylazanium (CID 23267839) is (3-diphenylarsanylphenyl)-trimethylazanium.
What is the SMILES notation for (3-diphenylarsanylphenyl)-trimethylazanium?
The canonical SMILES for (3-diphenylarsanylphenyl)-trimethylazanium is C[N+](C)(C)c1cccc([As](c2ccccc2)c2ccccc2)c1.
What is the InChIKey of (3-diphenylarsanylphenyl)-trimethylazanium?
The InChIKey is AZWZKVYHCVYGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23AsN/c1-23(2,3)21-16-10-15-20(17-21)22(18-11-6-4-7-12-18)19-13-8-5-9-14-19/h4-17H,1-3H3/q+1.
What are the key properties of (3-diphenylarsanylphenyl)-trimethylazanium?
(3-diphenylarsanylphenyl)-trimethylazanium has a molecular weight of 364.34 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-diphenylarsanylphenyl)-trimethylazanium is sourced from PubChem (CID 23267839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).