4-[(E)-[4-(diethylamino)phenyl]-(4-ethyliminonaphthalen-1-ylidene)methyl]-N,N-diethyl-3-methylaniline

C34H41N3 — CID 58160761

IUPAC4-[(E)-[4-(diethylamino)phenyl]-(4-ethyliminonaphthalen-1-ylidene)methyl]-N,N-diethyl-3-methylaniline
SMILESCC/N=C1\C=C/C(=C(/c2ccc(N(CC)CC)cc2)c2ccc(N(CC)CC)cc2C)c2ccccc21
InChIInChI=1S/C34H41N3/c1-7-35-33-23-22-32(30-14-12-13-15-31(30)33)34(26-16-18-27(19-17-26)36(8-2)9-3)29-21-20-28(24-25(29)6)37(10-4)11-5/h12-24H,7-11H2,1-6H3/b34-32+,35-33+
InChIKeyCKLXOEYTJGZKSF-XUXOKTBYSA-N
MW491.72 g/mol
LogP8.03
Rot. Bonds9

About 4-[(E)-[4-(diethylamino)phenyl]-(4-ethyliminonaphthalen-1-ylidene)methyl]-N,N-diethyl-3-methylaniline

4-[(E)-[4-(diethylamino)phenyl]-(4-ethyliminonaphthalen-1-ylidene)methyl]-N,N-diethyl-3-methylaniline (PubChem CID 58160761) has the molecular formula C34H41N3 and a molecular weight of 491.72 g/mol. Its IUPAC name is 4-[(E)-[4-(diethylamino)phenyl]-(4-ethyliminonaphthalen-1-ylidene)methyl]-N,N-diethyl-3-methylaniline.

Molecular Properties

Compound Name4-[(E)-[4-(diethylamino)phenyl]-(4-ethyliminonaphthalen-1-ylidene)methyl]-N,N-diethyl-3-methylaniline
PubChem CID58160761
Molecular FormulaC34H41N3
Molecular Weight491.72 g/mol
Exact Mass491.33
IUPAC Name4-[(E)-[4-(diethylamino)phenyl]-(4-ethyliminonaphthalen-1-ylidene)methyl]-N,N-diethyl-3-methylaniline
SMILESCC/N=C1\C=C/C(=C(/c2ccc(N(CC)CC)cc2)c2ccc(N(CC)CC)cc2C)c2ccccc21
InChIInChI=1S/C34H41N3/c1-7-35-33-23-22-32(30-14-12-13-15-31(30)33)34(26-16-18-27(19-17-26)36(8-2)9-3)29-21-20-28(24-25(29)6)37(10-4)11-5/h12-24H,7-11H2,1-6H3/b34-32+,35-33+
InChIKeyCKLXOEYTJGZKSF-XUXOKTBYSA-N
XLogP8.03
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.72
LogP ≤ 58.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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'}

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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-[[4-(dimethylamino)phenyl]-(4-ethyliminonaphthalen-1-ylidene)methyl]-N,N-dimethylaniline;hydrochloride
CID 170839353
[4-[bis[4-(diethylamino)-2-methylphenyl]methylidene]naphthalen-1-ylidene]-ethylazanium
CID 135133908
bis(4-[[4-(diethylamino)phenyl]-(4-ethyliminonaphthalen-1-ylidene)methyl]-N,N-diethylaniline);3-hydroxynaphthalene-2,7-disulfonic acid
CID 170854156
4-[[4-(4-ethenylphenyl)iminonaphthalen-1-ylidene]-(4-methylphenyl)methyl]-N,N-diethylaniline
CID 159806073
4-[2-[4-[[4-(diethylamino)phenyl]-(4-ethyliminonaphthalen-1-ylidene)methyl]-N-ethylanilino]ethoxy]-2,3,5,6-tetrafluoro-N-(trifluoromethylsulfonyl)benzenesulfonamide
CID 158583514
[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
6-[[4-[[4-(diethylamino)phenyl]-(4-methylphenyl)methylidene]naphthalen-1-ylidene]amino]hexyl 2,2-dimethylbutanoate
CID 161306383
N,N-diethyl-4-[(4-ethyliminocyclohexa-2,5-dien-1-ylidene)-naphthalen-1-ylmethyl]-3-methylaniline
CID 129106321
[5-(diethylamino)-2-[(E)-[4-(diethylamino)phenyl]-(4-ethylazaniumylidenenaphthalen-1-ylidene)methyl]phenyl]sulfonyl-(trifluoromethylsulfonyl)azanide
CID 140729154
[(4Z)-4-[[4-[2-aminoethyl(ethyl)amino]phenyl]-[4-(diethylamino)phenyl]methylidene]naphthalen-1-ylidene]-ethylazanium
CID 121442993

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[4-(diethylamino)phenyl]-(4-ethyliminonaphthalen-1-ylidene)methyl]-N,N-diethyl-3-methylaniline?
The IUPAC name of 4-[(E)-[4-(diethylamino)phenyl]-(4-ethyliminonaphthalen-1-ylidene)methyl]-N,N-diethyl-3-methylaniline (CID 58160761) is 4-[(E)-[4-(diethylamino)phenyl]-(4-ethyliminonaphthalen-1-ylidene)methyl]-N,N-diethyl-3-methylaniline.
What is the SMILES notation for 4-[(E)-[4-(diethylamino)phenyl]-(4-ethyliminonaphthalen-1-ylidene)methyl]-N,N-diethyl-3-methylaniline?
The canonical SMILES for 4-[(E)-[4-(diethylamino)phenyl]-(4-ethyliminonaphthalen-1-ylidene)methyl]-N,N-diethyl-3-methylaniline is CC/N=C1\C=C/C(=C(/c2ccc(N(CC)CC)cc2)c2ccc(N(CC)CC)cc2C)c2ccccc21.
What is the InChIKey of 4-[(E)-[4-(diethylamino)phenyl]-(4-ethyliminonaphthalen-1-ylidene)methyl]-N,N-diethyl-3-methylaniline?
The InChIKey is CKLXOEYTJGZKSF-XUXOKTBYSA-N. The full InChI is InChI=1S/C34H41N3/c1-7-35-33-23-22-32(30-14-12-13-15-31(30)33)34(26-16-18-27(19-17-26)36(8-2)9-3)29-21-20-28(24-25(29)6)37(10-4)11-5/h12-24H,7-11H2,1-6H3/b34-32+,35-33+.
What are the key properties of 4-[(E)-[4-(diethylamino)phenyl]-(4-ethyliminonaphthalen-1-ylidene)methyl]-N,N-diethyl-3-methylaniline?
4-[(E)-[4-(diethylamino)phenyl]-(4-ethyliminonaphthalen-1-ylidene)methyl]-N,N-diethyl-3-methylaniline has a molecular weight of 491.72 g/mol, XLogP of 8.03, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[4-(diethylamino)phenyl]-(4-ethyliminonaphthalen-1-ylidene)methyl]-N,N-diethyl-3-methylaniline is sourced from PubChem (CID 58160761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).