[4-[2-[4-(diethylamino)phenyl]ethenyl]phenyl]-phenylmethanone

C25H25NO — CID 141211346

IUPAC[4-[2-[4-(diethylamino)phenyl]ethenyl]phenyl]-phenylmethanone
SMILESCCN(CC)c1ccc(C=Cc2ccc(C(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C25H25NO/c1-3-26(4-2)24-18-14-21(15-19-24)11-10-20-12-16-23(17-13-20)25(27)22-8-6-5-7-9-22/h5-19H,3-4H2,1-2H3
InChIKeySSKQQVFXNWSBJH-UHFFFAOYSA-N
MW355.48 g/mol
LogP5.93
Rot. Bonds7

About [4-[2-[4-(diethylamino)phenyl]ethenyl]phenyl]-phenylmethanone

[4-[2-[4-(diethylamino)phenyl]ethenyl]phenyl]-phenylmethanone (PubChem CID 141211346) has the molecular formula C25H25NO and a molecular weight of 355.48 g/mol. Its IUPAC name is [4-[2-[4-(diethylamino)phenyl]ethenyl]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-[2-[4-(diethylamino)phenyl]ethenyl]phenyl]-phenylmethanone
PubChem CID141211346
Molecular FormulaC25H25NO
Molecular Weight355.48 g/mol
Exact Mass355.19
IUPAC Name[4-[2-[4-(diethylamino)phenyl]ethenyl]phenyl]-phenylmethanone
SMILESCCN(CC)c1ccc(C=Cc2ccc(C(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C25H25NO/c1-3-26(4-2)24-18-14-21(15-19-24)11-10-20-12-16-23(17-13-20)25(27)22-8-6-5-7-9-22/h5-19H,3-4H2,1-2H3
InChIKeySSKQQVFXNWSBJH-UHFFFAOYSA-N
XLogP5.93
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.48
LogP ≤ 55.93
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

bis[4-(diethylamino)phenyl]methanone;bis[4-(dimethylamino)phenyl]methanone;diphenylmethanone
CID 161451495
[4-(diethylamino)phenyl]-phenylmethanone;phenyl-(4-phenylphenyl)methanone
CID 175454528
[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-phenylmethanone
CID 132506208
[4-[ethyl-[2-[4-[4-(2-pyridin-4-ylethenyl)benzoyl]phenyl]ethyl]amino]phenyl]-phenylmethanone
CID 123613096
4-(4,4-diphenylbuta-1,3-dienyl)-N,N-diethylaniline
CID 57303741
4-[1-[4-(diethylamino)phenyl]-2-(4-ethenylphenyl)-2-phenylethenyl]-N,N-diethylaniline
CID 141404078
N,N-diethyl-4-(6-phenylhexa-1,3,5-trienyl)aniline
CID 173357254
4-[(Z)-2-[4-[4-[(E)-2-[4-(diethylamino)phenyl]-2-phenylethenyl]phenyl]phenyl]-1-phenylethenyl]-N,N-diethylaniline
CID 59935150
4-[2-[3,5-bis[2-[4-(diethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-diethylaniline
CID 57028933
4-[(E)-2-[3-[(E)-2-[4-(diethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-diethylaniline
CID 102038782
1-[4-(diethylamino)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
CID 86039133
4-[2-[4-(diethylamino)phenyl]ethenyl]-N,N-dimethylaniline
CID 71427638

Frequently Asked Questions

What is the IUPAC name of [4-[2-[4-(diethylamino)phenyl]ethenyl]phenyl]-phenylmethanone?
The IUPAC name of [4-[2-[4-(diethylamino)phenyl]ethenyl]phenyl]-phenylmethanone (CID 141211346) is [4-[2-[4-(diethylamino)phenyl]ethenyl]phenyl]-phenylmethanone.
What is the SMILES notation for [4-[2-[4-(diethylamino)phenyl]ethenyl]phenyl]-phenylmethanone?
The canonical SMILES for [4-[2-[4-(diethylamino)phenyl]ethenyl]phenyl]-phenylmethanone is CCN(CC)c1ccc(C=Cc2ccc(C(=O)c3ccccc3)cc2)cc1.
What is the InChIKey of [4-[2-[4-(diethylamino)phenyl]ethenyl]phenyl]-phenylmethanone?
The InChIKey is SSKQQVFXNWSBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO/c1-3-26(4-2)24-18-14-21(15-19-24)11-10-20-12-16-23(17-13-20)25(27)22-8-6-5-7-9-22/h5-19H,3-4H2,1-2H3.
What are the key properties of [4-[2-[4-(diethylamino)phenyl]ethenyl]phenyl]-phenylmethanone?
[4-[2-[4-(diethylamino)phenyl]ethenyl]phenyl]-phenylmethanone has a molecular weight of 355.48 g/mol, XLogP of 5.93, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[4-(diethylamino)phenyl]ethenyl]phenyl]-phenylmethanone is sourced from PubChem (CID 141211346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).