4-[[4-(dimethylamino)phenyl]-[2-(4-methylphenyl)iminonaphthalen-1-ylidene]methyl]-N,N-dimethylaniline

C34H33N3 — CID 21123860

IUPAC4-[[4-(dimethylamino)phenyl]-[2-(4-methylphenyl)iminonaphthalen-1-ylidene]methyl]-N,N-dimethylaniline
SMILESCc1ccc(/N=C2\C=Cc3ccccc3C2=C(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C34H33N3/c1-24-10-17-28(18-11-24)35-32-23-16-25-8-6-7-9-31(25)34(32)33(26-12-19-29(20-13-26)36(2)3)27-14-21-30(22-15-27)37(4)5/h6-23H,1-5H3/b35-32+
InChIKeyGYTXWSFQILJLEI-LVYIWIAJSA-N
MW483.66 g/mol
LogP7.89
Rot. Bonds5

About 4-[[4-(dimethylamino)phenyl]-[2-(4-methylphenyl)iminonaphthalen-1-ylidene]methyl]-N,N-dimethylaniline

4-[[4-(dimethylamino)phenyl]-[2-(4-methylphenyl)iminonaphthalen-1-ylidene]methyl]-N,N-dimethylaniline (PubChem CID 21123860) has the molecular formula C34H33N3 and a molecular weight of 483.66 g/mol. Its IUPAC name is 4-[[4-(dimethylamino)phenyl]-[2-(4-methylphenyl)iminonaphthalen-1-ylidene]methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[[4-(dimethylamino)phenyl]-[2-(4-methylphenyl)iminonaphthalen-1-ylidene]methyl]-N,N-dimethylaniline
PubChem CID21123860
Molecular FormulaC34H33N3
Molecular Weight483.66 g/mol
Exact Mass483.27
IUPAC Name4-[[4-(dimethylamino)phenyl]-[2-(4-methylphenyl)iminonaphthalen-1-ylidene]methyl]-N,N-dimethylaniline
SMILESCc1ccc(/N=C2\C=Cc3ccccc3C2=C(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C34H33N3/c1-24-10-17-28(18-11-24)35-32-23-16-25-8-6-7-9-31(25)34(32)33(26-12-19-29(20-13-26)36(2)3)27-14-21-30(22-15-27)37(4)5/h6-23H,1-5H3/b35-32+
InChIKeyGYTXWSFQILJLEI-LVYIWIAJSA-N
XLogP7.89
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.66
LogP ≤ 57.89
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-(4-ethenylphenyl)iminonaphthalen-1-ylidene]-(4-methylphenyl)methyl]-N,N-diethylaniline
CID 159806073
9-[bis(4-methylphenyl)methylidene]xanthene
CID 15914606
4-[[4-(dimethylamino)phenyl]-(4-ethyliminonaphthalen-1-ylidene)methyl]-N,N-dimethylaniline;hydrochloride
CID 170839353
2-propan-2-ylidenetricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene
CID 14290121
ethane;N,N,4-trimethylaniline;1,2,3-trimethylbenzene
CID 142152742
2-chloro-N-(4-methylphenyl)-2H-naphthalen-1-imine
CID 21122784
1-N,1-N,4-N-trimethyl-4-N-(4-methylphenyl)benzene-1,4-diamine
CID 18736513
4-[4-(N-phenylanilino)phenyl]iminonaphthalen-1-one
CID 91744769
3-(4-methylphenyl)iminoisoindol-1-one
CID 135932532
4-(dimethylamino)-N-[(Z)-1-(4-methylphenyl)propylideneamino]benzamide
CID 6382403
CID 102282703
CID 102282703
ethenol;N,N,4-trimethylaniline
CID 161109749

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(dimethylamino)phenyl]-[2-(4-methylphenyl)iminonaphthalen-1-ylidene]methyl]-N,N-dimethylaniline?
The IUPAC name of 4-[[4-(dimethylamino)phenyl]-[2-(4-methylphenyl)iminonaphthalen-1-ylidene]methyl]-N,N-dimethylaniline (CID 21123860) is 4-[[4-(dimethylamino)phenyl]-[2-(4-methylphenyl)iminonaphthalen-1-ylidene]methyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[[4-(dimethylamino)phenyl]-[2-(4-methylphenyl)iminonaphthalen-1-ylidene]methyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[[4-(dimethylamino)phenyl]-[2-(4-methylphenyl)iminonaphthalen-1-ylidene]methyl]-N,N-dimethylaniline is Cc1ccc(/N=C2\C=Cc3ccccc3C2=C(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)cc1.
What is the InChIKey of 4-[[4-(dimethylamino)phenyl]-[2-(4-methylphenyl)iminonaphthalen-1-ylidene]methyl]-N,N-dimethylaniline?
The InChIKey is GYTXWSFQILJLEI-LVYIWIAJSA-N. The full InChI is InChI=1S/C34H33N3/c1-24-10-17-28(18-11-24)35-32-23-16-25-8-6-7-9-31(25)34(32)33(26-12-19-29(20-13-26)36(2)3)27-14-21-30(22-15-27)37(4)5/h6-23H,1-5H3/b35-32+.
What are the key properties of 4-[[4-(dimethylamino)phenyl]-[2-(4-methylphenyl)iminonaphthalen-1-ylidene]methyl]-N,N-dimethylaniline?
4-[[4-(dimethylamino)phenyl]-[2-(4-methylphenyl)iminonaphthalen-1-ylidene]methyl]-N,N-dimethylaniline has a molecular weight of 483.66 g/mol, XLogP of 7.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(dimethylamino)phenyl]-[2-(4-methylphenyl)iminonaphthalen-1-ylidene]methyl]-N,N-dimethylaniline is sourced from PubChem (CID 21123860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).