N,N-diethyl-4-(6-phenylhexa-1,3,5-trienyl)aniline

C22H25N — CID 173357254

IUPACN,N-diethyl-4-(6-phenylhexa-1,3,5-trienyl)aniline
SMILESCCN(CC)c1ccc(C=CC=CC=Cc2ccccc2)cc1
InChIInChI=1S/C22H25N/c1-3-23(4-2)22-18-16-21(17-19-22)15-9-6-5-8-12-20-13-10-7-11-14-20/h5-19H,3-4H2,1-2H3
InChIKeyZSOZCJZAIQVTHV-UHFFFAOYSA-N
MW303.45 g/mol
LogP5.82
Rot. Bonds7

About N,N-diethyl-4-(6-phenylhexa-1,3,5-trienyl)aniline

N,N-diethyl-4-(6-phenylhexa-1,3,5-trienyl)aniline (PubChem CID 173357254) has the molecular formula C22H25N and a molecular weight of 303.45 g/mol. Its IUPAC name is N,N-diethyl-4-(6-phenylhexa-1,3,5-trienyl)aniline.

Molecular Properties

Compound NameN,N-diethyl-4-(6-phenylhexa-1,3,5-trienyl)aniline
PubChem CID173357254
Molecular FormulaC22H25N
Molecular Weight303.45 g/mol
Exact Mass303.20
IUPAC NameN,N-diethyl-4-(6-phenylhexa-1,3,5-trienyl)aniline
SMILESCCN(CC)c1ccc(C=CC=CC=Cc2ccccc2)cc1
InChIInChI=1S/C22H25N/c1-3-23(4-2)22-18-16-21(17-19-22)15-9-6-5-8-12-20-13-10-7-11-14-20/h5-19H,3-4H2,1-2H3
InChIKeyZSOZCJZAIQVTHV-UHFFFAOYSA-N
XLogP5.82
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.45
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(4,4-diphenylbuta-1,3-dienyl)-N,N-diethylaniline
CID 57303741
N,N-dimethyl-4-[(1E,3E,5E)-6-phenylhexa-1,3,5-trienyl]aniline
CID 6015156
N,N-dimethyl-4-[(1E,3E)-4-phenylbuta-1,3-dienyl]aniline
CID 10875699
N,N-diethyl-4-[(1E,3E,5E)-6-(1-ethylpyridin-1-ium-4-yl)hexa-1,3,5-trienyl]aniline
CID 177390544
N,N-diethylaniline
CID 7061
4-[(E)-2-[3-[(E)-2-[4-(diethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-diethylaniline
CID 102038782
N,N-diethyl-4-[(1E,3E)-4-(4-methoxyphenyl)buta-1,3-dienyl]aniline
CID 59296852
4-[2-[4-(diethylamino)phenyl]ethenyl]-N,N-dimethylaniline
CID 71427638
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
N-ethyl-N-(3-phenylprop-2-enyl)aniline;hydrochloride
CID 173290020
4-[2-[3,5-bis[2-[4-(diethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-diethylaniline
CID 57028933
N,N-diethyl-4-[[methyl(phenyl)hydrazinylidene]methyl]aniline
CID 54333940

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-(6-phenylhexa-1,3,5-trienyl)aniline?
The IUPAC name of N,N-diethyl-4-(6-phenylhexa-1,3,5-trienyl)aniline (CID 173357254) is N,N-diethyl-4-(6-phenylhexa-1,3,5-trienyl)aniline.
What is the SMILES notation for N,N-diethyl-4-(6-phenylhexa-1,3,5-trienyl)aniline?
The canonical SMILES for N,N-diethyl-4-(6-phenylhexa-1,3,5-trienyl)aniline is CCN(CC)c1ccc(C=CC=CC=Cc2ccccc2)cc1.
What is the InChIKey of N,N-diethyl-4-(6-phenylhexa-1,3,5-trienyl)aniline?
The InChIKey is ZSOZCJZAIQVTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N/c1-3-23(4-2)22-18-16-21(17-19-22)15-9-6-5-8-12-20-13-10-7-11-14-20/h5-19H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-4-(6-phenylhexa-1,3,5-trienyl)aniline?
N,N-diethyl-4-(6-phenylhexa-1,3,5-trienyl)aniline has a molecular weight of 303.45 g/mol, XLogP of 5.82, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-(6-phenylhexa-1,3,5-trienyl)aniline is sourced from PubChem (CID 173357254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).