[4-(N-(4-benzylphenyl)anilino)phenyl] prop-2-enoate

C28H23NO2 — CID 89016777

IUPAC[4-(N-(4-benzylphenyl)anilino)phenyl] prop-2-enoate
SMILESC=CC(=O)Oc1ccc(N(c2ccccc2)c2ccc(Cc3ccccc3)cc2)cc1
InChIInChI=1S/C28H23NO2/c1-2-28(30)31-27-19-17-26(18-20-27)29(24-11-7-4-8-12-24)25-15-13-23(14-16-25)21-22-9-5-3-6-10-22/h2-20H,1,21H2
InChIKeyVNWVBUJFQGBHJA-UHFFFAOYSA-N
MW405.50 g/mol
LogP6.84
Rot. Bonds7

About [4-(N-(4-benzylphenyl)anilino)phenyl] prop-2-enoate

[4-(N-(4-benzylphenyl)anilino)phenyl] prop-2-enoate (PubChem CID 89016777) has the molecular formula C28H23NO2 and a molecular weight of 405.50 g/mol. Its IUPAC name is [4-(N-(4-benzylphenyl)anilino)phenyl] prop-2-enoate.

Molecular Properties

Compound Name[4-(N-(4-benzylphenyl)anilino)phenyl] prop-2-enoate
PubChem CID89016777
Molecular FormulaC28H23NO2
Molecular Weight405.50 g/mol
Exact Mass405.17
IUPAC Name[4-(N-(4-benzylphenyl)anilino)phenyl] prop-2-enoate
SMILESC=CC(=O)Oc1ccc(N(c2ccccc2)c2ccc(Cc3ccccc3)cc2)cc1
InChIInChI=1S/C28H23NO2/c1-2-28(30)31-27-19-17-26(18-20-27)29(24-11-7-4-8-12-24)25-15-13-23(14-16-25)21-22-9-5-3-6-10-22/h2-20H,1,21H2
InChIKeyVNWVBUJFQGBHJA-UHFFFAOYSA-N
XLogP6.84
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.50
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[4-[4-(N-phenylanilino)phenyl]phenyl] prop-2-enoate
CID 58800639
[4-[4-[N-[[4-(N-phenylanilino)phenyl]methyl]-4-(4-prop-2-enoyloxyphenyl)anilino]phenyl]phenyl] prop-2-enoate
CID 58520157
[4-[4-(4-phenyl-N-(4-prop-2-enoyloxyphenyl)anilino)phenyl]phenyl] prop-2-enoate
CID 22089914
[4-[(N-benzylanilino)methyl]phenyl] prop-2-enoate
CID 58984007
[4-[4-[N-[3,5-bis(N-phenylanilino)phenyl]-4-(4-prop-2-enoyloxyphenyl)anilino]phenyl]phenyl] prop-2-enoate
CID 58520163
2-[4-[N-(4-prop-2-enoyloxyphenyl)-4-[4-(N-(4-prop-2-enoyloxyphenyl)anilino)phenyl]anilino]phenyl]ethyl prop-2-enoate
CID 22089877
[6-[4-(N-phenylanilino)-N-(6-prop-2-enoyloxynaphthalen-2-yl)anilino]naphthalen-2-yl] prop-2-enoate
CID 58520027
[4-(N-propylanilino)phenyl] prop-2-enoate
CID 145430713
[4-(4-phenyl-N-(4-prop-2-enoyloxyphenyl)anilino)phenyl] propanoate
CID 59745963
[4-[N-(4-phenylbutan-2-yl)anilino]phenyl] prop-2-enoate
CID 88981889
2-[4-[2-[4-(N-(4-benzylphenyl)anilino)phenyl]-1-[4-(2-prop-2-enoyloxyethoxy)phenyl]ethenyl]phenoxy]ethyl prop-2-enoate
CID 22089691
[4-[N-[4-(1-hydroxypropoxy)phenyl]-4-[4-(N-phenylanilino)phenyl]anilino]phenyl] prop-2-enoate
CID 58090228

Frequently Asked Questions

What is the IUPAC name of [4-(N-(4-benzylphenyl)anilino)phenyl] prop-2-enoate?
The IUPAC name of [4-(N-(4-benzylphenyl)anilino)phenyl] prop-2-enoate (CID 89016777) is [4-(N-(4-benzylphenyl)anilino)phenyl] prop-2-enoate.
What is the SMILES notation for [4-(N-(4-benzylphenyl)anilino)phenyl] prop-2-enoate?
The canonical SMILES for [4-(N-(4-benzylphenyl)anilino)phenyl] prop-2-enoate is C=CC(=O)Oc1ccc(N(c2ccccc2)c2ccc(Cc3ccccc3)cc2)cc1.
What is the InChIKey of [4-(N-(4-benzylphenyl)anilino)phenyl] prop-2-enoate?
The InChIKey is VNWVBUJFQGBHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23NO2/c1-2-28(30)31-27-19-17-26(18-20-27)29(24-11-7-4-8-12-24)25-15-13-23(14-16-25)21-22-9-5-3-6-10-22/h2-20H,1,21H2.
What are the key properties of [4-(N-(4-benzylphenyl)anilino)phenyl] prop-2-enoate?
[4-(N-(4-benzylphenyl)anilino)phenyl] prop-2-enoate has a molecular weight of 405.50 g/mol, XLogP of 6.84, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(N-(4-benzylphenyl)anilino)phenyl] prop-2-enoate is sourced from PubChem (CID 89016777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).