(triphenylazaniumyl)formate

C19H15NO2 — CID 70464916

IUPAC(triphenylazaniumyl)formate
SMILESO=C([O-])[N+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H15NO2/c21-19(22)20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H
InChIKeyKXZMVZSLVCBREX-UHFFFAOYSA-N
MW289.33 g/mol
LogP4.00
Rot. Bonds3

About (triphenylazaniumyl)formate

(triphenylazaniumyl)formate (PubChem CID 70464916) has the molecular formula C19H15NO2 and a molecular weight of 289.33 g/mol. Its IUPAC name is (triphenylazaniumyl)formate.

Molecular Properties

Compound Name(triphenylazaniumyl)formate
PubChem CID70464916
Molecular FormulaC19H15NO2
Molecular Weight289.33 g/mol
Exact Mass289.11
IUPAC Name(triphenylazaniumyl)formate
SMILESO=C([O-])[N+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H15NO2/c21-19(22)20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H
InChIKeyKXZMVZSLVCBREX-UHFFFAOYSA-N
XLogP4.00
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

oxalate;bis(trimethyl(phenyl)azanium)
CID 66900184
propanoate;trimethyl(phenyl)azanium
CID 70571170
propanoate;triethyl(phenyl)azanium
CID 146567529
bis(1,1'-biphenyl);carbonate
CID 23514328
prop-2-enoate;trimethyl(phenyl)azanium
CID 126506580
2-[dimethyl(phenyl)azaniumyl]acetate;hydrochloride
CID 171375902
oxalate;tetraphenylstannane;tin(4+)
CID 161101615
[methyl(phenyl)sulfonio]formate
CID 58689606
1,2-diphenylethane-1,2-dione;sulfane
CID 159672950
benzoate tetrahydrate
CID 18510013
tris(barium(2+));dicarbonate;diphenoxide
CID 173391623
disodium;phenol;carbonate
CID 161303410

Frequently Asked Questions

What is the IUPAC name of (triphenylazaniumyl)formate?
The IUPAC name of (triphenylazaniumyl)formate (CID 70464916) is (triphenylazaniumyl)formate.
What is the SMILES notation for (triphenylazaniumyl)formate?
The canonical SMILES for (triphenylazaniumyl)formate is O=C([O-])[N+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (triphenylazaniumyl)formate?
The InChIKey is KXZMVZSLVCBREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO2/c21-19(22)20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H.
What are the key properties of (triphenylazaniumyl)formate?
(triphenylazaniumyl)formate has a molecular weight of 289.33 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (triphenylazaniumyl)formate is sourced from PubChem (CID 70464916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).