[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

[4-[4-[N-[4-[4-[N-[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]phenyl]-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]phenyl] 2-methylprop-2-enoate
CID 58520075
[4-[4-(4-phenyl-N-(4-prop-2-enoyloxyphenyl)anilino)phenyl]phenyl] prop-2-enoate
CID 22089914
[4-[4-(N-phenylanilino)phenyl]phenyl] prop-2-enoate
CID 58800639
3-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenoxy]propyl acetate
CID 20605378
[4-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenoxy]phenyl] 2-methylprop-2-enoate
CID 58800614
1-N,1-N,4-N-triphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 59738711
N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 58925038
N,4-diphenyl-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 160679121
N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N,4-diphenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 159598544
N,4-diphenyl-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 158445844
1-N,1-N-diphenyl-4-N-[4-[4-[4-[N-[4-(N-phenylanilino)phenyl]-4-(4-phenylphenyl)anilino]phenyl]phenyl]phenyl]-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 59601029
1-N-phenyl-4-N,4-N-bis(4-phenylphenyl)-1-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]anilino]phenyl]phenyl]phenyl]benzene-1,4-diamine
CID 59742279

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).