4-[(E)-2-(4-ethoxyphenyl)ethenyl]-N,N-diphenylaniline

C28H25NO — CID 70499270

IUPAC4-[(E)-2-(4-ethoxyphenyl)ethenyl]-N,N-diphenylaniline
SMILESCCOc1ccc(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C28H25NO/c1-2-30-28-21-17-24(18-22-28)14-13-23-15-19-27(20-16-23)29(25-9-5-3-6-10-25)26-11-7-4-8-12-26/h3-22H,2H2,1H3/b14-13+
InChIKeyPUEGUONXSKLXHC-BUHFOSPRSA-N
MW391.51 g/mol
LogP7.73
Rot. Bonds7

About 4-[(E)-2-(4-ethoxyphenyl)ethenyl]-N,N-diphenylaniline

4-[(E)-2-(4-ethoxyphenyl)ethenyl]-N,N-diphenylaniline (PubChem CID 70499270) has the molecular formula C28H25NO and a molecular weight of 391.51 g/mol. Its IUPAC name is 4-[(E)-2-(4-ethoxyphenyl)ethenyl]-N,N-diphenylaniline.

Molecular Properties

Compound Name4-[(E)-2-(4-ethoxyphenyl)ethenyl]-N,N-diphenylaniline
PubChem CID70499270
Molecular FormulaC28H25NO
Molecular Weight391.51 g/mol
Exact Mass391.19
IUPAC Name4-[(E)-2-(4-ethoxyphenyl)ethenyl]-N,N-diphenylaniline
SMILESCCOc1ccc(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C28H25NO/c1-2-30-28-21-17-24(18-22-28)14-13-23-15-19-27(20-16-23)29(25-9-5-3-6-10-25)26-11-7-4-8-12-26/h3-22H,2H2,1H3/b14-13+
InChIKeyPUEGUONXSKLXHC-BUHFOSPRSA-N
XLogP7.73
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.51
LogP ≤ 57.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(E)-2-(4-ethoxyphenyl)ethenyl]-N,N-bis[4-[(E)-2-(4-ethoxyphenyl)ethenyl]phenyl]aniline
CID 122211085
4-ethoxy-N-(4-ethoxyphenyl)-N-phenylaniline
CID 18996804
1-ethoxy-4-(2-phenylethenyl)benzene
CID 54277622
4-[2-(4-ethoxyphenyl)ethenyl]-N,N-dimethylaniline
CID 67837040
N,N-diphenyl-4-[(E)-2-[4-[(E)-2-[4-(N-[4-[(E)-2-[4-[(E)-2-[4-(N-[4-[(E)-2-[4-[(E)-2-[4-(N-[4-[(E)-2-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]aniline
CID 177478696
1-N,1-N,4-N-triphenyl-4-N-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]benzene-1,4-diamine
CID 66641192
N,N-diphenyl-4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]aniline
CID 139195314
N,N-bis(4-ethoxyphenyl)-4-[(E)-2-(4-nitrophenyl)ethenyl]aniline
CID 102288244
2,5-diethoxy-N,N-bis[4-(4-phenylbuta-1,3-dienyl)phenyl]aniline
CID 123820385
4-ethyl-N-[4-[(E)-2-[4-(N-(4-ethylphenyl)anilino)phenyl]ethenyl]phenyl]-N-phenylaniline
CID 59722336
4-methyl-N-[4-[(E)-2-[4-[(E)-2-[4-(N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-phenylaniline
CID 14366502
4-[(1E,3E)-4-phenylbuta-1,3-dienyl]-N-[4-[(1E,3E)-4-phenylbuta-1,3-dienyl]phenyl]-N-[4-[(E)-2-[4-[(1E,3E)-4-phenylbuta-1,3-dienyl]phenyl]ethenyl]phenyl]aniline;4-[(E)-2-[4-[(1E,3E)-4-phenylbuta-1,3-dienyl]phenyl]ethenyl]-N,N-bis[4-[(E)-2-[4-[(1E,3E)-4-phenylbuta-1,3-dienyl]phenyl]ethenyl]phenyl]aniline
CID 159424729

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(4-ethoxyphenyl)ethenyl]-N,N-diphenylaniline?
The IUPAC name of 4-[(E)-2-(4-ethoxyphenyl)ethenyl]-N,N-diphenylaniline (CID 70499270) is 4-[(E)-2-(4-ethoxyphenyl)ethenyl]-N,N-diphenylaniline.
What is the SMILES notation for 4-[(E)-2-(4-ethoxyphenyl)ethenyl]-N,N-diphenylaniline?
The canonical SMILES for 4-[(E)-2-(4-ethoxyphenyl)ethenyl]-N,N-diphenylaniline is CCOc1ccc(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1.
What is the InChIKey of 4-[(E)-2-(4-ethoxyphenyl)ethenyl]-N,N-diphenylaniline?
The InChIKey is PUEGUONXSKLXHC-BUHFOSPRSA-N. The full InChI is InChI=1S/C28H25NO/c1-2-30-28-21-17-24(18-22-28)14-13-23-15-19-27(20-16-23)29(25-9-5-3-6-10-25)26-11-7-4-8-12-26/h3-22H,2H2,1H3/b14-13+.
What are the key properties of 4-[(E)-2-(4-ethoxyphenyl)ethenyl]-N,N-diphenylaniline?
4-[(E)-2-(4-ethoxyphenyl)ethenyl]-N,N-diphenylaniline has a molecular weight of 391.51 g/mol, XLogP of 7.73, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(4-ethoxyphenyl)ethenyl]-N,N-diphenylaniline is sourced from PubChem (CID 70499270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).