[4-(N-(4-benzoyloxyphenyl)anilino)phenyl] benzoate

C32H23NO4 — CID 163872416

IUPAC[4-(N-(4-benzoyloxyphenyl)anilino)phenyl] benzoate
SMILESO=C(Oc1ccc(N(c2ccccc2)c2ccc(OC(=O)c3ccccc3)cc2)cc1)c1ccccc1
InChIInChI=1S/C32H23NO4/c34-31(24-10-4-1-5-11-24)36-29-20-16-27(17-21-29)33(26-14-8-3-9-15-26)28-18-22-30(23-19-28)37-32(35)25-12-6-2-7-13-25/h1-23H
InChIKeyPLZHTQSXMJQVHR-UHFFFAOYSA-N
MW485.54 g/mol
LogP7.59
Rot. Bonds7

About [4-(N-(4-benzoyloxyphenyl)anilino)phenyl] benzoate

[4-(N-(4-benzoyloxyphenyl)anilino)phenyl] benzoate (PubChem CID 163872416) has the molecular formula C32H23NO4 and a molecular weight of 485.54 g/mol. Its IUPAC name is [4-(N-(4-benzoyloxyphenyl)anilino)phenyl] benzoate.

Molecular Properties

Compound Name[4-(N-(4-benzoyloxyphenyl)anilino)phenyl] benzoate
PubChem CID163872416
Molecular FormulaC32H23NO4
Molecular Weight485.54 g/mol
Exact Mass485.16
IUPAC Name[4-(N-(4-benzoyloxyphenyl)anilino)phenyl] benzoate
SMILESO=C(Oc1ccc(N(c2ccccc2)c2ccc(OC(=O)c3ccccc3)cc2)cc1)c1ccccc1
InChIInChI=1S/C32H23NO4/c34-31(24-10-4-1-5-11-24)36-29-20-16-27(17-21-29)33(26-14-8-3-9-15-26)28-18-22-30(23-19-28)37-32(35)25-12-6-2-7-13-25/h1-23H
InChIKeyPLZHTQSXMJQVHR-UHFFFAOYSA-N
XLogP7.59
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.54
LogP ≤ 57.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[4-(diethylamino)phenyl] benzoate
CID 67071301
[4-[4-(4-benzoyloxyphenoxy)phenoxy]phenyl] benzoate
CID 14669952
bis[4-(2-oxo-2-phenylacetyl)phenyl] benzene-1,4-dicarboxylate
CID 4643274
[9,10-dioxo-6-[4-(N-phenylanilino)benzoyl]oxyanthracen-2-yl] 4-(N-phenylanilino)benzoate
CID 132596705
[4-(diethylcarbamoyl)phenyl] benzoate
CID 139836095
[4-[10,15,20-tris[4-(N-phenylanilino)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl] benzoate
CID 101439024
[4-[1,1-bis[4-[4-(N-naphthalen-2-ylanilino)benzoyl]oxyphenyl]propyl]phenyl] 4-(N-naphthalen-2-ylanilino)benzoate
CID 139957847
(4-fluorophenyl) 4-benzoyloxybenzoate
CID 20782791
formaldehyde;(4-methylphenyl) benzoate
CID 143467602
[4-(phenoxymethoxy)phenyl] benzoate
CID 20724331
[4-(4-anilinoanilino)phenyl] benzoate
CID 19763264
[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl] acetate
CID 163460715

Frequently Asked Questions

What is the IUPAC name of [4-(N-(4-benzoyloxyphenyl)anilino)phenyl] benzoate?
The IUPAC name of [4-(N-(4-benzoyloxyphenyl)anilino)phenyl] benzoate (CID 163872416) is [4-(N-(4-benzoyloxyphenyl)anilino)phenyl] benzoate.
What is the SMILES notation for [4-(N-(4-benzoyloxyphenyl)anilino)phenyl] benzoate?
The canonical SMILES for [4-(N-(4-benzoyloxyphenyl)anilino)phenyl] benzoate is O=C(Oc1ccc(N(c2ccccc2)c2ccc(OC(=O)c3ccccc3)cc2)cc1)c1ccccc1.
What is the InChIKey of [4-(N-(4-benzoyloxyphenyl)anilino)phenyl] benzoate?
The InChIKey is PLZHTQSXMJQVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H23NO4/c34-31(24-10-4-1-5-11-24)36-29-20-16-27(17-21-29)33(26-14-8-3-9-15-26)28-18-22-30(23-19-28)37-32(35)25-12-6-2-7-13-25/h1-23H.
What are the key properties of [4-(N-(4-benzoyloxyphenyl)anilino)phenyl] benzoate?
[4-(N-(4-benzoyloxyphenyl)anilino)phenyl] benzoate has a molecular weight of 485.54 g/mol, XLogP of 7.59, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(N-(4-benzoyloxyphenyl)anilino)phenyl] benzoate is sourced from PubChem (CID 163872416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).