[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl] acetate

C32H25NO2 — CID 163460715

IUPAC[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl] acetate
SMILESCC(=O)Oc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C32H25NO2/c1-24(34)35-32-22-16-28(17-23-32)27-14-20-31(21-15-27)33(29-10-6-3-7-11-29)30-18-12-26(13-19-30)25-8-4-2-5-9-25/h2-23H,1H3
InChIKeyBOHPGDXYJSMRMG-UHFFFAOYSA-N
MW455.56 g/mol
LogP8.42
Rot. Bonds6

About [4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl] acetate

[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl] acetate (PubChem CID 163460715) has the molecular formula C32H25NO2 and a molecular weight of 455.56 g/mol. Its IUPAC name is [4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl] acetate.

Molecular Properties

Compound Name[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl] acetate
PubChem CID163460715
Molecular FormulaC32H25NO2
Molecular Weight455.56 g/mol
Exact Mass455.19
IUPAC Name[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl] acetate
SMILESCC(=O)Oc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C32H25NO2/c1-24(34)35-32-22-16-28(17-23-32)27-14-20-31(21-15-27)33(29-10-6-3-7-11-29)30-18-12-26(13-19-30)25-8-4-2-5-9-25/h2-23H,1H3
InChIKeyBOHPGDXYJSMRMG-UHFFFAOYSA-N
XLogP8.42
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.56
LogP ≤ 58.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N'-[(diphenylmethanediyl)bis(benzene-4,1-diyloxybenzene-4,1-diyl)]diacetamide
CID 3092398
4-(3-(4-(N-methylacetamido)phenyl)pentan-3-yl)phenyl dibenzylcarbamate
CID 24180522
(1E,4E)-1-[4-(dimethylamino)phenyl]-5-(3-trityloxyphenyl)penta-1,4-dien-3-one
CID 54580170
6-[4-(Dimethylamino)phenyl]chromen-2-one
CID 56594477
Benzeneacetic acid, 4-(bis(2-chloroethyl)amino)-, (1,2-diethyl-1,2-ethanediyl)di-4,1-phenylene ester
CID 161290
(1,1'-Biphenyl)-4,4'-diamine, N4,N4,N4',N4'-tetrakis(4-methoxyphenyl)-
CID 23069933
6-[4-(Dimethylamino)phenyl]-5,7-dimethyl-4-phenylchromen-2-one
CID 6540209
(1-Benzyl-2,2-dimethyl-4-phenylquinolin-6-yl) acetate
CID 53326559
2-[4-[Benzyl-[(4-phenoxyphenyl)methyl]amino]phenyl]acetic acid
CID 70691113
2-methyl-N-[4-[(Z)-1-phenyl-2-(4-phenylmethoxyphenyl)but-1-enyl]phenyl]propanamide
CID 127048622
N-[4-[(E)-1-(4-methoxyphenyl)-2-(4-phenylmethoxyphenyl)but-1-enyl]phenyl]-2-methylpropanamide
CID 127048624
N,N'-Bis(2-methyl-4-methoxyphenyl)-N,N'-diphenylbenzidine
CID 23517938

Frequently Asked Questions

What is the IUPAC name of [4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl] acetate?
The IUPAC name of [4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl] acetate (CID 163460715) is [4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl] acetate.
What is the SMILES notation for [4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl] acetate?
The canonical SMILES for [4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl] acetate is CC(=O)Oc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of [4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl] acetate?
The InChIKey is BOHPGDXYJSMRMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25NO2/c1-24(34)35-32-22-16-28(17-23-32)27-14-20-31(21-15-27)33(29-10-6-3-7-11-29)30-18-12-26(13-19-30)25-8-4-2-5-9-25/h2-23H,1H3.
What are the key properties of [4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl] acetate?
[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl] acetate has a molecular weight of 455.56 g/mol, XLogP of 8.42, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl] acetate is sourced from PubChem (CID 163460715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).