N-[(E)-[(Z)-3-(4-methoxyphenyl)-3-phenylprop-2-enylidene]amino]-N-phenylaniline

C28H24N2O — CID 22828689

IUPACN-[(E)-[(Z)-3-(4-methoxyphenyl)-3-phenylprop-2-enylidene]amino]-N-phenylaniline
SMILESCOc1ccc(/C(=C\C=N\N(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H24N2O/c1-31-27-19-17-24(18-20-27)28(23-11-5-2-6-12-23)21-22-29-30(25-13-7-3-8-14-25)26-15-9-4-10-16-26/h2-22H,1H3/b28-21-,29-22+
InChIKeyGGLRIPITHXQFGB-FJYRUYPUSA-N
MW404.51 g/mol
LogP6.95
Rot. Bonds7

About N-[(E)-[(Z)-3-(4-methoxyphenyl)-3-phenylprop-2-enylidene]amino]-N-phenylaniline

N-[(E)-[(Z)-3-(4-methoxyphenyl)-3-phenylprop-2-enylidene]amino]-N-phenylaniline (PubChem CID 22828689) has the molecular formula C28H24N2O and a molecular weight of 404.51 g/mol. Its IUPAC name is N-[(E)-[(Z)-3-(4-methoxyphenyl)-3-phenylprop-2-enylidene]amino]-N-phenylaniline.

Molecular Properties

Compound NameN-[(E)-[(Z)-3-(4-methoxyphenyl)-3-phenylprop-2-enylidene]amino]-N-phenylaniline
PubChem CID22828689
Molecular FormulaC28H24N2O
Molecular Weight404.51 g/mol
Exact Mass404.19
IUPAC NameN-[(E)-[(Z)-3-(4-methoxyphenyl)-3-phenylprop-2-enylidene]amino]-N-phenylaniline
SMILESCOc1ccc(/C(=C\C=N\N(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H24N2O/c1-31-27-19-17-24(18-20-27)28(23-11-5-2-6-12-23)21-22-29-30(25-13-7-3-8-14-25)26-15-9-4-10-16-26/h2-22H,1H3/b28-21-,29-22+
InChIKeyGGLRIPITHXQFGB-FJYRUYPUSA-N
XLogP6.95
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.51
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[4-[(E,3E)-3-(diphenylhydrazinylidene)-1-(4-methoxyphenyl)prop-1-enyl]phenyl]methanol
CID 58612806
N-[(Z)-3,3-bis(4-methylphenyl)prop-2-enylideneamino]-N-phenylaniline
CID 91118877
(Z)-3-(4-methoxyphenyl)-3-phenylprop-2-enal
CID 14547230
N-[3,3-bis(4-methoxyphenyl)prop-2-enylidene]hydroxylamine
CID 142605464
4-[(Z)-2-(4-methoxyphenyl)-2-[4-[(E)-1-(4-methoxyphenyl)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-diphenylaniline
CID 163788418
1-methoxy-4-[(E)-2-nitro-1-phenylethenyl]benzene
CID 12634354
4-[(E)-2-(4-methoxyphenyl)-2-phenylethenyl]-N-[4-[4-(N-[4-[(E)-2-(4-methoxyphenyl)-2-phenylethenyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 163442886
methyl 5-(4-methoxyphenyl)-5-phenylpenta-2,4-dienoate
CID 54355919
N-(2,2-diphenylethenyl)-4-[4-[N-(2,2-diphenylethenyl)-4-methoxyanilino]phenyl]-N-(4-methoxyphenyl)aniline
CID 59408569
N-[4-(2,2-diphenylethenyl)phenyl]-4-[(E)-2-(4-methoxyphenyl)ethenyl]-N-phenylaniline
CID 59935129
1-(4,4-diphenylbut-3-enyl)-4-methoxybenzene
CID 11415775
N-[2,2-bis(4-methylphenyl)ethenyl]-4-[(1E)-4,4-diphenylbuta-1,3-dienyl]-N-(4-methoxyphenyl)aniline
CID 23517965

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[(Z)-3-(4-methoxyphenyl)-3-phenylprop-2-enylidene]amino]-N-phenylaniline?
The IUPAC name of N-[(E)-[(Z)-3-(4-methoxyphenyl)-3-phenylprop-2-enylidene]amino]-N-phenylaniline (CID 22828689) is N-[(E)-[(Z)-3-(4-methoxyphenyl)-3-phenylprop-2-enylidene]amino]-N-phenylaniline.
What is the SMILES notation for N-[(E)-[(Z)-3-(4-methoxyphenyl)-3-phenylprop-2-enylidene]amino]-N-phenylaniline?
The canonical SMILES for N-[(E)-[(Z)-3-(4-methoxyphenyl)-3-phenylprop-2-enylidene]amino]-N-phenylaniline is COc1ccc(/C(=C\C=N\N(c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-[(E)-[(Z)-3-(4-methoxyphenyl)-3-phenylprop-2-enylidene]amino]-N-phenylaniline?
The InChIKey is GGLRIPITHXQFGB-FJYRUYPUSA-N. The full InChI is InChI=1S/C28H24N2O/c1-31-27-19-17-24(18-20-27)28(23-11-5-2-6-12-23)21-22-29-30(25-13-7-3-8-14-25)26-15-9-4-10-16-26/h2-22H,1H3/b28-21-,29-22+.
What are the key properties of N-[(E)-[(Z)-3-(4-methoxyphenyl)-3-phenylprop-2-enylidene]amino]-N-phenylaniline?
N-[(E)-[(Z)-3-(4-methoxyphenyl)-3-phenylprop-2-enylidene]amino]-N-phenylaniline has a molecular weight of 404.51 g/mol, XLogP of 6.95, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(Z)-3-(4-methoxyphenyl)-3-phenylprop-2-enylidene]amino]-N-phenylaniline is sourced from PubChem (CID 22828689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).