[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-phenylmethanone

C23H21NO — CID 132506208

IUPAC[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-phenylmethanone
SMILESCN(C)c1ccc(/C=C/c2ccc(C(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C23H21NO/c1-24(2)22-16-12-19(13-17-22)9-8-18-10-14-21(15-11-18)23(25)20-6-4-3-5-7-20/h3-17H,1-2H3/b9-8+
InChIKeyWOWFTSNAOPEFQY-CMDGGOBGSA-N
MW327.43 g/mol
LogP5.15
Rot. Bonds5

About [4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-phenylmethanone

[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-phenylmethanone (PubChem CID 132506208) has the molecular formula C23H21NO and a molecular weight of 327.43 g/mol. Its IUPAC name is [4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-phenylmethanone
PubChem CID132506208
Molecular FormulaC23H21NO
Molecular Weight327.43 g/mol
Exact Mass327.16
IUPAC Name[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-phenylmethanone
SMILESCN(C)c1ccc(/C=C/c2ccc(C(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C23H21NO/c1-24(2)22-16-12-19(13-17-22)9-8-18-10-14-21(15-11-18)23(25)20-6-4-3-5-7-20/h3-17H,1-2H3/b9-8+
InChIKeyWOWFTSNAOPEFQY-CMDGGOBGSA-N
XLogP5.15
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.43
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

[4-(dimethylamino)phenyl]-phenylmethanone
CID 10737
[4-[2-[4-(diethylamino)phenyl]ethenyl]phenyl]-phenylmethanone
CID 141211346
N,N-dimethyl-4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]aniline
CID 132506209
[4-[4-(dimethylamino)anilino]phenyl]-phenylmethanone
CID 11738595
bis[4-(diethylamino)phenyl]methanone;bis[4-(dimethylamino)phenyl]methanone;diphenylmethanone
CID 161451495
(E)-1-[4-(dimethylamino)phenyl]-3-phenylprop-2-en-1-one
CID 5356057
4-[(Z)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline
CID 92530704
4-[2,2-bis[4-(dimethylamino)phenyl]-1-phenylethenyl]benzaldehyde
CID 102222128
1,5-bis[4-(dimethylamino)phenyl]-2,4-diphenylpenta-1,4-dien-3-one
CID 66673921
[4-amino-3-[[4-(dimethylamino)phenyl]methylideneamino]phenyl]-phenylmethanone
CID 139072228
(1E,4E)-1,5-bis(4-benzoylphenyl)penta-1,4-dien-3-one
CID 101166440
N-methyl-4-[(E)-2-[4-[methyl(phenyl)carbamoyl]phenyl]ethenyl]-N-phenylbenzamide
CID 134109031

Frequently Asked Questions

What is the IUPAC name of [4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-phenylmethanone?
The IUPAC name of [4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-phenylmethanone (CID 132506208) is [4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-phenylmethanone.
What is the SMILES notation for [4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-phenylmethanone?
The canonical SMILES for [4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-phenylmethanone is CN(C)c1ccc(/C=C/c2ccc(C(=O)c3ccccc3)cc2)cc1.
What is the InChIKey of [4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-phenylmethanone?
The InChIKey is WOWFTSNAOPEFQY-CMDGGOBGSA-N. The full InChI is InChI=1S/C23H21NO/c1-24(2)22-16-12-19(13-17-22)9-8-18-10-14-21(15-11-18)23(25)20-6-4-3-5-7-20/h3-17H,1-2H3/b9-8+.
What are the key properties of [4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-phenylmethanone?
[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-phenylmethanone has a molecular weight of 327.43 g/mol, XLogP of 5.15, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-phenylmethanone is sourced from PubChem (CID 132506208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).