4-[(E)-2-[3-[(E)-2-[4-(diethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-diethylaniline

C30H36N2 — CID 102038782

IUPAC4-[(E)-2-[3-[(E)-2-[4-(diethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-diethylaniline
SMILESCCN(CC)c1ccc(/C=C/c2cccc(/C=C/c3ccc(N(CC)CC)cc3)c2)cc1
InChIInChI=1S/C30H36N2/c1-5-31(6-2)29-20-16-25(17-21-29)12-14-27-10-9-11-28(24-27)15-13-26-18-22-30(23-19-26)32(7-3)8-4/h9-24H,5-8H2,1-4H3/b14-12+,15-13+
InChIKeyVVCXWWDJXSDRDL-QUMQEAAQSA-N
MW424.63 g/mol
LogP7.72
Rot. Bonds10

About 4-[(E)-2-[3-[(E)-2-[4-(diethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-diethylaniline

4-[(E)-2-[3-[(E)-2-[4-(diethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-diethylaniline (PubChem CID 102038782) has the molecular formula C30H36N2 and a molecular weight of 424.63 g/mol. Its IUPAC name is 4-[(E)-2-[3-[(E)-2-[4-(diethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-diethylaniline.

Molecular Properties

Compound Name4-[(E)-2-[3-[(E)-2-[4-(diethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-diethylaniline
PubChem CID102038782
Molecular FormulaC30H36N2
Molecular Weight424.63 g/mol
Exact Mass424.29
IUPAC Name4-[(E)-2-[3-[(E)-2-[4-(diethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-diethylaniline
SMILESCCN(CC)c1ccc(/C=C/c2cccc(/C=C/c3ccc(N(CC)CC)cc3)c2)cc1
InChIInChI=1S/C30H36N2/c1-5-31(6-2)29-20-16-25(17-21-29)12-14-27-10-9-11-28(24-27)15-13-26-18-22-30(23-19-26)32(7-3)8-4/h9-24H,5-8H2,1-4H3/b14-12+,15-13+
InChIKeyVVCXWWDJXSDRDL-QUMQEAAQSA-N
XLogP7.72
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.63
LogP ≤ 57.72
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-[2-[3,5-bis[2-[4-(diethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-diethylaniline
CID 57028933
3-[2-[4-[4-[4-[4-[2-[3-(diethylamino)phenyl]ethenyl]phenyl]-N-[4-[4-[2-[3-(diethylamino)phenyl]ethenyl]phenyl]phenyl]anilino]phenyl]phenyl]ethenyl]-N,N-diethylaniline
CID 59989521
4-[(E)-2-(3,4-dimethylphenyl)ethenyl]-N,N-diethylaniline
CID 139552946
4-[2-[4-(diethylamino)phenyl]ethenyl]-N,N-dimethylaniline
CID 71427638
N,N-diethyl-4-(6-phenylhexa-1,3,5-trienyl)aniline
CID 173357254
4-[(E)-2-(3,5-dimethylphenyl)ethenyl]-N,N-diethylaniline
CID 122629396
4-[(E)-2-[2-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-5,5-dimethylbenzo[b][1]benzosilol-8-yl]ethenyl]-N,N-diethylaniline
CID 101499417
N,N-diphenyl-4-[(E)-2-[3-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]aniline
CID 14366512
4-[(E)-2-[2-[[4-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-2-pyridinyl]sulfanyl]-4-pyridinyl]ethenyl]-N,N-diethylaniline
CID 143493253
N,N-diethyl-4-[(E)-2-thiophen-2-ylethenyl]aniline
CID 101038849
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine
CID 14438301
4-[(E)-2-[2-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-5-methyl-5-phenylbenzo[b]phosphindol-5-ium-8-yl]ethenyl]-N,N-diethylaniline
CID 102301120

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[3-[(E)-2-[4-(diethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-diethylaniline?
The IUPAC name of 4-[(E)-2-[3-[(E)-2-[4-(diethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-diethylaniline (CID 102038782) is 4-[(E)-2-[3-[(E)-2-[4-(diethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-diethylaniline.
What is the SMILES notation for 4-[(E)-2-[3-[(E)-2-[4-(diethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-diethylaniline?
The canonical SMILES for 4-[(E)-2-[3-[(E)-2-[4-(diethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-diethylaniline is CCN(CC)c1ccc(/C=C/c2cccc(/C=C/c3ccc(N(CC)CC)cc3)c2)cc1.
What is the InChIKey of 4-[(E)-2-[3-[(E)-2-[4-(diethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-diethylaniline?
The InChIKey is VVCXWWDJXSDRDL-QUMQEAAQSA-N. The full InChI is InChI=1S/C30H36N2/c1-5-31(6-2)29-20-16-25(17-21-29)12-14-27-10-9-11-28(24-27)15-13-26-18-22-30(23-19-26)32(7-3)8-4/h9-24H,5-8H2,1-4H3/b14-12+,15-13+.
What are the key properties of 4-[(E)-2-[3-[(E)-2-[4-(diethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-diethylaniline?
4-[(E)-2-[3-[(E)-2-[4-(diethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-diethylaniline has a molecular weight of 424.63 g/mol, XLogP of 7.72, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[3-[(E)-2-[4-(diethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-diethylaniline is sourced from PubChem (CID 102038782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).