4-[(Z)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline

C26H28N2 — CID 92530704

IUPAC4-[(Z)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(/C=C\c2ccc(/C=C/c3ccc(N(C)C)cc3)cc2)cc1
InChIInChI=1S/C26H28N2/c1-27(2)25-17-13-23(14-18-25)11-9-21-5-7-22(8-6-21)10-12-24-15-19-26(20-16-24)28(3)4/h5-20H,1-4H3/b11-9-,12-10+
InChIKeyFQSHCTXVYDFFOB-DSOJMZEYSA-N
MW368.52 g/mol
LogP6.16
Rot. Bonds6

About 4-[(Z)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline

4-[(Z)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline (PubChem CID 92530704) has the molecular formula C26H28N2 and a molecular weight of 368.52 g/mol. Its IUPAC name is 4-[(Z)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(Z)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline
PubChem CID92530704
Molecular FormulaC26H28N2
Molecular Weight368.52 g/mol
Exact Mass368.23
IUPAC Name4-[(Z)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(/C=C\c2ccc(/C=C/c3ccc(N(C)C)cc3)cc2)cc1
InChIInChI=1S/C26H28N2/c1-27(2)25-17-13-23(14-18-25)11-9-21-5-7-22(8-6-21)10-12-24-15-19-26(20-16-24)28(3)4/h5-20H,1-4H3/b11-9-,12-10+
InChIKeyFQSHCTXVYDFFOB-DSOJMZEYSA-N
XLogP6.16
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.52
LogP ≤ 56.16
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

Crystal Violet
CID 11057
Dimethyl-p-toluidine
CID 7471
Malachite Green
CID 11294
Leucomalachite green
CID 67215
Bis(p-(dimethylamino)phenyl)methane
CID 7567
Bamipine
CID 72075
Leucocrystal Violet
CID 69048
Solvent Yellow 34
CID 10298
Gentian violet cation
CID 3468
N,N-Dimethyl-4-[2-(3-methylphenyl)diazenyl]benzenamine
CID 5934
N-Ethyl-N-benzylaniline
CID 7098
Malachite green cation
CID 11295

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline?
The IUPAC name of 4-[(Z)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline (CID 92530704) is 4-[(Z)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[(Z)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[(Z)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline is CN(C)c1ccc(/C=C\c2ccc(/C=C/c3ccc(N(C)C)cc3)cc2)cc1.
What is the InChIKey of 4-[(Z)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline?
The InChIKey is FQSHCTXVYDFFOB-DSOJMZEYSA-N. The full InChI is InChI=1S/C26H28N2/c1-27(2)25-17-13-23(14-18-25)11-9-21-5-7-22(8-6-21)10-12-24-15-19-26(20-16-24)28(3)4/h5-20H,1-4H3/b11-9-,12-10+.
What are the key properties of 4-[(Z)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline?
4-[(Z)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline has a molecular weight of 368.52 g/mol, XLogP of 6.16, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline is sourced from PubChem (CID 92530704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).