(4-phenoxycarbonylphenyl)-diphenylazanium

C25H20NO2+ — CID 163826760

IUPAC(4-phenoxycarbonylphenyl)-diphenylazanium
SMILESO=C(Oc1ccccc1)c1ccc([NH+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H19NO2/c27-25(28-24-14-8-3-9-15-24)20-16-18-23(19-17-20)26(21-10-4-1-5-11-21)22-12-6-2-7-13-22/h1-19H/p+1
InChIKeyOADMTEZCVSQHIK-UHFFFAOYSA-O
MW366.44 g/mol
LogP5.09
Rot. Bonds5

About (4-phenoxycarbonylphenyl)-diphenylazanium

(4-phenoxycarbonylphenyl)-diphenylazanium (PubChem CID 163826760) has the molecular formula C25H20NO2+ and a molecular weight of 366.44 g/mol. Its IUPAC name is (4-phenoxycarbonylphenyl)-diphenylazanium.

Molecular Properties

Compound Name(4-phenoxycarbonylphenyl)-diphenylazanium
PubChem CID163826760
Molecular FormulaC25H20NO2+
Molecular Weight366.44 g/mol
Exact Mass366.15
IUPAC Name(4-phenoxycarbonylphenyl)-diphenylazanium
SMILESO=C(Oc1ccccc1)c1ccc([NH+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H19NO2/c27-25(28-24-14-8-3-9-15-24)20-16-18-23(19-17-20)26(21-10-4-1-5-11-21)22-12-6-2-7-13-22/h1-19H/p+1
InChIKeyOADMTEZCVSQHIK-UHFFFAOYSA-O
XLogP5.09
TPSA30.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.44
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

phenyl 4-(chloromethyl)benzoate
CID 592795
bis[4-(2-oxo-2-phenylacetyl)phenyl] benzene-1,4-dicarboxylate
CID 4643274
1-O-[2-(4-phenoxycarbonylbenzoyl)oxyethyl] 4-O-phenyl benzene-1,4-dicarboxylate
CID 154278572
phenyl 4-tert-butylbenzoate
CID 733785
(Z)-but-2-enedioic acid;phenyl benzoate
CID 172830010
phenyl benzoate;sulfuryl dichloride
CID 162241119
phenyl 4-formyloxybenzoate
CID 118686744
phenyl 4-[4-(4-phenoxycarbonylphenyl)buta-1,3-diynyl]benzoate
CID 19869999
(4-phenoxycarbonylphenyl) 4-(2-phenylethynyl)benzoate
CID 20724320
[4-[4-(4-benzoyloxyphenoxy)phenoxy]phenyl] benzoate
CID 14669952
cobalt(2+);phenyl benzoate;diacetate
CID 163661272
(4-fluorophenyl) 4-benzoyloxybenzoate
CID 20782791

Frequently Asked Questions

What is the IUPAC name of (4-phenoxycarbonylphenyl)-diphenylazanium?
The IUPAC name of (4-phenoxycarbonylphenyl)-diphenylazanium (CID 163826760) is (4-phenoxycarbonylphenyl)-diphenylazanium.
What is the SMILES notation for (4-phenoxycarbonylphenyl)-diphenylazanium?
The canonical SMILES for (4-phenoxycarbonylphenyl)-diphenylazanium is O=C(Oc1ccccc1)c1ccc([NH+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (4-phenoxycarbonylphenyl)-diphenylazanium?
The InChIKey is OADMTEZCVSQHIK-UHFFFAOYSA-O. The full InChI is InChI=1S/C25H19NO2/c27-25(28-24-14-8-3-9-15-24)20-16-18-23(19-17-20)26(21-10-4-1-5-11-21)22-12-6-2-7-13-22/h1-19H/p+1.
What are the key properties of (4-phenoxycarbonylphenyl)-diphenylazanium?
(4-phenoxycarbonylphenyl)-diphenylazanium has a molecular weight of 366.44 g/mol, XLogP of 5.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenoxycarbonylphenyl)-diphenylazanium is sourced from PubChem (CID 163826760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).