[4-[4-(N-phenylanilino)phenyl]phenyl] prop-2-enoate

C27H21NO2 — CID 58800639

IUPAC[4-[4-(N-phenylanilino)phenyl]phenyl] prop-2-enoate
SMILESC=CC(=O)Oc1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C27H21NO2/c1-2-27(29)30-26-19-15-22(16-20-26)21-13-17-25(18-14-21)28(23-9-5-3-6-10-23)24-11-7-4-8-12-24/h2-20H,1H2
InChIKeyVAKZMYUWHMDISJ-UHFFFAOYSA-N
MW391.47 g/mol
LogP6.91
Rot. Bonds6

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

[4-[4-(N-phenylanilino)phenyl]phenyl] prop-2-enoate (PubChem CID 58800639) has the molecular formula C27H21NO2 and a molecular weight of 391.47 g/mol. Its IUPAC name is [4-[4-(N-phenylanilino)phenyl]phenyl] prop-2-enoate.

Molecular Properties

Compound Name[4-[4-(N-phenylanilino)phenyl]phenyl] prop-2-enoate
PubChem CID58800639
Molecular FormulaC27H21NO2
Molecular Weight391.47 g/mol
Exact Mass391.16
IUPAC Name[4-[4-(N-phenylanilino)phenyl]phenyl] prop-2-enoate
SMILESC=CC(=O)Oc1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C27H21NO2/c1-2-27(29)30-26-19-15-22(16-20-26)21-13-17-25(18-14-21)28(23-9-5-3-6-10-23)24-11-7-4-8-12-24/h2-20H,1H2
InChIKeyVAKZMYUWHMDISJ-UHFFFAOYSA-N
XLogP6.91
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.47
LogP ≤ 56.91
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-(4-phenyl-N-(4-prop-2-enoyloxyphenyl)anilino)phenyl]phenyl] prop-2-enoate
CID 22089914
[4-[4-[N-[3,5-bis(N-phenylanilino)phenyl]-4-(4-prop-2-enoyloxyphenyl)anilino]phenyl]phenyl] prop-2-enoate
CID 58520163
[4-[4-[N-[[4-(N-phenylanilino)phenyl]methyl]-4-(4-prop-2-enoyloxyphenyl)anilino]phenyl]phenyl] prop-2-enoate
CID 58520157
[4-(4-phenyl-N-(4-prop-2-enoyloxyphenyl)anilino)phenyl] propanoate
CID 59745963
[4-[N-[4-(1-hydroxypropoxy)phenyl]-4-[4-(N-phenylanilino)phenyl]anilino]phenyl] prop-2-enoate
CID 58090228
2-[4-[N-(4-prop-2-enoyloxyphenyl)-4-[4-(N-(4-prop-2-enoyloxyphenyl)anilino)phenyl]anilino]phenyl]ethyl prop-2-enoate
CID 22089877
[4-(N-(4-benzylphenyl)anilino)phenyl] prop-2-enoate
CID 89016777
[4-[4-(N-(3-methylphenyl)-4-prop-2-enoyloxyanilino)phenyl]phenyl] prop-2-enoate
CID 59832794
[6-[4-(N-phenylanilino)-N-(6-prop-2-enoyloxynaphthalen-2-yl)anilino]naphthalen-2-yl] prop-2-enoate
CID 58520027
[4-[4-[N-methyl-4-(4-prop-2-enoyloxyphenyl)anilino]phenyl]phenyl] prop-2-enoate
CID 22089909
[4-(N-propylanilino)phenyl] prop-2-enoate
CID 145430713
[4-(N-(4-chlorophenyl)-4-prop-2-enoyloxyanilino)phenyl] prop-2-enoate
CID 59832803

Frequently Asked Questions

What is the IUPAC name of [4-[4-(N-phenylanilino)phenyl]phenyl] prop-2-enoate?
The IUPAC name of [4-[4-(N-phenylanilino)phenyl]phenyl] prop-2-enoate (CID 58800639) is [4-[4-(N-phenylanilino)phenyl]phenyl] prop-2-enoate.
What is the SMILES notation for [4-[4-(N-phenylanilino)phenyl]phenyl] prop-2-enoate?
The canonical SMILES for [4-[4-(N-phenylanilino)phenyl]phenyl] prop-2-enoate is C=CC(=O)Oc1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1.
What is the InChIKey of [4-[4-(N-phenylanilino)phenyl]phenyl] prop-2-enoate?
The InChIKey is VAKZMYUWHMDISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21NO2/c1-2-27(29)30-26-19-15-22(16-20-26)21-13-17-25(18-14-21)28(23-9-5-3-6-10-23)24-11-7-4-8-12-24/h2-20H,1H2.
What are the key properties of [4-[4-(N-phenylanilino)phenyl]phenyl] prop-2-enoate?
[4-[4-(N-phenylanilino)phenyl]phenyl] prop-2-enoate has a molecular weight of 391.47 g/mol, XLogP of 6.91, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(N-phenylanilino)phenyl]phenyl] prop-2-enoate is sourced from PubChem (CID 58800639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).