4-[[4-(4-ethenylphenyl)iminonaphthalen-1-ylidene]-(4-methylphenyl)methyl]-N,N-diethylaniline

C36H34N2 — CID 159806073

IUPAC4-[[4-(4-ethenylphenyl)iminonaphthalen-1-ylidene]-(4-methylphenyl)methyl]-N,N-diethylaniline
SMILESC=Cc1ccc(/N=C2\C=CC(=C(c3ccc(C)cc3)c3ccc(N(CC)CC)cc3)c3ccccc32)cc1
InChIInChI=1S/C36H34N2/c1-5-27-14-20-30(21-15-27)37-35-25-24-34(32-10-8-9-11-33(32)35)36(28-16-12-26(4)13-17-28)29-18-22-31(23-19-29)38(6-2)7-3/h5,8-25H,1,6-7H2,2-4H3/b36-34?,37-35+
InChIKeyQHJKHZIDKOVZCL-XYCGZJHESA-N
MW494.68 g/mol
LogP9.13
Rot. Bonds7

About 4-[[4-(4-ethenylphenyl)iminonaphthalen-1-ylidene]-(4-methylphenyl)methyl]-N,N-diethylaniline

4-[[4-(4-ethenylphenyl)iminonaphthalen-1-ylidene]-(4-methylphenyl)methyl]-N,N-diethylaniline (PubChem CID 159806073) has the molecular formula C36H34N2 and a molecular weight of 494.68 g/mol. Its IUPAC name is 4-[[4-(4-ethenylphenyl)iminonaphthalen-1-ylidene]-(4-methylphenyl)methyl]-N,N-diethylaniline.

Molecular Properties

Compound Name4-[[4-(4-ethenylphenyl)iminonaphthalen-1-ylidene]-(4-methylphenyl)methyl]-N,N-diethylaniline
PubChem CID159806073
Molecular FormulaC36H34N2
Molecular Weight494.68 g/mol
Exact Mass494.27
IUPAC Name4-[[4-(4-ethenylphenyl)iminonaphthalen-1-ylidene]-(4-methylphenyl)methyl]-N,N-diethylaniline
SMILESC=Cc1ccc(/N=C2\C=CC(=C(c3ccc(C)cc3)c3ccc(N(CC)CC)cc3)c3ccccc32)cc1
InChIInChI=1S/C36H34N2/c1-5-27-14-20-30(21-15-27)37-35-25-24-34(32-10-8-9-11-33(32)35)36(28-16-12-26(4)13-17-28)29-18-22-31(23-19-29)38(6-2)7-3/h5,8-25H,1,6-7H2,2-4H3/b36-34?,37-35+
InChIKeyQHJKHZIDKOVZCL-XYCGZJHESA-N
XLogP9.13
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.68
LogP ≤ 59.13
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': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 4-[[4-(4-ethenylphenyl)iminonaphthalen-1-ylidene]-(4-methylphenyl)methyl]-N,N-diethylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[4-(diethylamino)phenyl]-(4-ethyliminonaphthalen-1-ylidene)methyl]-N,N-diethylaniline;hydrochloride
CID 131674675
4-[[4-(diethylamino)phenyl]-(4-ethyliminonaphthalen-1-ylidene)methyl]-N,N-diethylaniline;propane
CID 145469154
4-[(E)-[4-(diethylamino)phenyl]-(4-ethyliminonaphthalen-1-ylidene)methyl]-N,N-diethyl-3-methylaniline
CID 58160761
4-[1-[4-(diethylamino)phenyl]-2-(4-ethenylphenyl)-2-phenylethenyl]-N,N-diethylaniline
CID 141404078
6-[[4-[[4-(diethylamino)phenyl]-(4-methylphenyl)methylidene]naphthalen-1-ylidene]amino]hexyl 2,2-dimethylbutanoate
CID 161306383
[4-[[4-[[4-[bis[4-(diethylamino)phenyl]methylidene]naphthalen-1-ylidene]amino]naphthalen-1-yl]-[4-(diethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-diethylazanium
CID 132570805
4-ethenyl-N,N-diethylaniline;hydrochloride
CID 67541310
4-[[4-(dimethylamino)phenyl]-(4-ethyliminonaphthalen-1-ylidene)methyl]-N,N-dimethylaniline;hydrochloride
CID 170839353
4-[[4-(dimethylamino)phenyl]-[2-(4-methylphenyl)iminonaphthalen-1-ylidene]methyl]-N,N-dimethylaniline
CID 21123860
[(4Z)-4-[[4-[2-aminoethyl(ethyl)amino]phenyl]-[4-(diethylamino)phenyl]methylidene]naphthalen-1-ylidene]-ethylazanium
CID 121442993
4-[4-(diethylamino)phenyl]imino-5-hydroxynaphthalen-1-one
CID 137280947
bis(4-[[4-(diethylamino)phenyl]-(4-ethyliminonaphthalen-1-ylidene)methyl]-N,N-diethylaniline);3-hydroxynaphthalene-2,7-disulfonic acid
CID 170854156

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-ethenylphenyl)iminonaphthalen-1-ylidene]-(4-methylphenyl)methyl]-N,N-diethylaniline?
The IUPAC name of 4-[[4-(4-ethenylphenyl)iminonaphthalen-1-ylidene]-(4-methylphenyl)methyl]-N,N-diethylaniline (CID 159806073) is 4-[[4-(4-ethenylphenyl)iminonaphthalen-1-ylidene]-(4-methylphenyl)methyl]-N,N-diethylaniline.
What is the SMILES notation for 4-[[4-(4-ethenylphenyl)iminonaphthalen-1-ylidene]-(4-methylphenyl)methyl]-N,N-diethylaniline?
The canonical SMILES for 4-[[4-(4-ethenylphenyl)iminonaphthalen-1-ylidene]-(4-methylphenyl)methyl]-N,N-diethylaniline is C=Cc1ccc(/N=C2\C=CC(=C(c3ccc(C)cc3)c3ccc(N(CC)CC)cc3)c3ccccc32)cc1.
What is the InChIKey of 4-[[4-(4-ethenylphenyl)iminonaphthalen-1-ylidene]-(4-methylphenyl)methyl]-N,N-diethylaniline?
The InChIKey is QHJKHZIDKOVZCL-XYCGZJHESA-N. The full InChI is InChI=1S/C36H34N2/c1-5-27-14-20-30(21-15-27)37-35-25-24-34(32-10-8-9-11-33(32)35)36(28-16-12-26(4)13-17-28)29-18-22-31(23-19-29)38(6-2)7-3/h5,8-25H,1,6-7H2,2-4H3/b36-34?,37-35+.
What are the key properties of 4-[[4-(4-ethenylphenyl)iminonaphthalen-1-ylidene]-(4-methylphenyl)methyl]-N,N-diethylaniline?
4-[[4-(4-ethenylphenyl)iminonaphthalen-1-ylidene]-(4-methylphenyl)methyl]-N,N-diethylaniline has a molecular weight of 494.68 g/mol, XLogP of 9.13, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-ethenylphenyl)iminonaphthalen-1-ylidene]-(4-methylphenyl)methyl]-N,N-diethylaniline is sourced from PubChem (CID 159806073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).