4-[1-[4-(diethylamino)phenyl]-2-(4-ethenylphenyl)-2-phenylethenyl]-N,N-diethylaniline

C36H40N2 — CID 141404078

IUPAC4-[1-[4-(diethylamino)phenyl]-2-(4-ethenylphenyl)-2-phenylethenyl]-N,N-diethylaniline
SMILESC=Cc1ccc(C(=C(c2ccc(N(CC)CC)cc2)c2ccc(N(CC)CC)cc2)c2ccccc2)cc1
InChIInChI=1S/C36H40N2/c1-6-28-16-18-30(19-17-28)35(29-14-12-11-13-15-29)36(31-20-24-33(25-21-31)37(7-2)8-3)32-22-26-34(27-23-32)38(9-4)10-5/h6,11-27H,1,7-10H2,2-5H3
InChIKeyGTDSPYDPFGDZGA-UHFFFAOYSA-N
MW500.73 g/mol
LogP9.03
Rot. Bonds11

About 4-[1-[4-(diethylamino)phenyl]-2-(4-ethenylphenyl)-2-phenylethenyl]-N,N-diethylaniline

4-[1-[4-(diethylamino)phenyl]-2-(4-ethenylphenyl)-2-phenylethenyl]-N,N-diethylaniline (PubChem CID 141404078) has the molecular formula C36H40N2 and a molecular weight of 500.73 g/mol. Its IUPAC name is 4-[1-[4-(diethylamino)phenyl]-2-(4-ethenylphenyl)-2-phenylethenyl]-N,N-diethylaniline.

Molecular Properties

Compound Name4-[1-[4-(diethylamino)phenyl]-2-(4-ethenylphenyl)-2-phenylethenyl]-N,N-diethylaniline
PubChem CID141404078
Molecular FormulaC36H40N2
Molecular Weight500.73 g/mol
Exact Mass500.32
IUPAC Name4-[1-[4-(diethylamino)phenyl]-2-(4-ethenylphenyl)-2-phenylethenyl]-N,N-diethylaniline
SMILESC=Cc1ccc(C(=C(c2ccc(N(CC)CC)cc2)c2ccc(N(CC)CC)cc2)c2ccccc2)cc1
InChIInChI=1S/C36H40N2/c1-6-28-16-18-30(19-17-28)35(29-14-12-11-13-15-29)36(31-20-24-33(25-21-31)37(7-2)8-3)32-22-26-34(27-23-32)38(9-4)10-5/h6,11-27H,1,7-10H2,2-5H3
InChIKeyGTDSPYDPFGDZGA-UHFFFAOYSA-N
XLogP9.03
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.73
LogP ≤ 59.03
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-ethenyl-N,N-diethylaniline;hydrochloride
CID 67541310
styrene;1,2,2-triphenylethenylbenzene
CID 161183519
[4-[2-[4-(diethylamino)phenyl]ethenyl]phenyl]-phenylmethanone
CID 141211346
4-[(Z)-2-[4-[4-[(E)-2-[4-(diethylamino)phenyl]-2-phenylethenyl]phenyl]phenyl]-1-phenylethenyl]-N,N-diethylaniline
CID 59935150
4-ethenyl-N-ethyl-N-propylaniline
CID 89377389
4-(4,4-diphenylbuta-1,3-dienyl)-N,N-diethylaniline
CID 57303741
4-[(Z)-2-[3-[(E)-2-[4-(diethylamino)phenyl]-2-phenylethenyl]phenyl]-1-phenylethenyl]-N,N-diethylaniline
CID 59935157
4-[2,2-bis[4-(dimethylamino)phenyl]-1-phenylethenyl]benzaldehyde
CID 102222128
N,N-diethylaniline
CID 7061
N,N-diethyl-4-(6-phenylhexa-1,3,5-trienyl)aniline
CID 173357254
bis[4-(diethylamino)phenyl]methanone;bis[4-(dimethylamino)phenyl]methanone;diphenylmethanone
CID 161451495
[4-(diethylamino)phenyl]-phenylmethanone;phenyl-(4-phenylphenyl)methanone
CID 175454528

Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-(diethylamino)phenyl]-2-(4-ethenylphenyl)-2-phenylethenyl]-N,N-diethylaniline?
The IUPAC name of 4-[1-[4-(diethylamino)phenyl]-2-(4-ethenylphenyl)-2-phenylethenyl]-N,N-diethylaniline (CID 141404078) is 4-[1-[4-(diethylamino)phenyl]-2-(4-ethenylphenyl)-2-phenylethenyl]-N,N-diethylaniline.
What is the SMILES notation for 4-[1-[4-(diethylamino)phenyl]-2-(4-ethenylphenyl)-2-phenylethenyl]-N,N-diethylaniline?
The canonical SMILES for 4-[1-[4-(diethylamino)phenyl]-2-(4-ethenylphenyl)-2-phenylethenyl]-N,N-diethylaniline is C=Cc1ccc(C(=C(c2ccc(N(CC)CC)cc2)c2ccc(N(CC)CC)cc2)c2ccccc2)cc1.
What is the InChIKey of 4-[1-[4-(diethylamino)phenyl]-2-(4-ethenylphenyl)-2-phenylethenyl]-N,N-diethylaniline?
The InChIKey is GTDSPYDPFGDZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H40N2/c1-6-28-16-18-30(19-17-28)35(29-14-12-11-13-15-29)36(31-20-24-33(25-21-31)37(7-2)8-3)32-22-26-34(27-23-32)38(9-4)10-5/h6,11-27H,1,7-10H2,2-5H3.
What are the key properties of 4-[1-[4-(diethylamino)phenyl]-2-(4-ethenylphenyl)-2-phenylethenyl]-N,N-diethylaniline?
4-[1-[4-(diethylamino)phenyl]-2-(4-ethenylphenyl)-2-phenylethenyl]-N,N-diethylaniline has a molecular weight of 500.73 g/mol, XLogP of 9.03, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-(diethylamino)phenyl]-2-(4-ethenylphenyl)-2-phenylethenyl]-N,N-diethylaniline is sourced from PubChem (CID 141404078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).