4-[(E)-2-[3-bromo-5-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline

C26H27BrN2 — CID 10895598

IUPAC4-[(E)-2-[3-bromo-5-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(/C=C/c2cc(Br)cc(/C=C/c3ccc(N(C)C)cc3)c2)cc1
InChIInChI=1S/C26H27BrN2/c1-28(2)25-13-9-20(10-14-25)5-7-22-17-23(19-24(27)18-22)8-6-21-11-15-26(16-12-21)29(3)4/h5-19H,1-4H3/b7-5+,8-6+
InChIKeyQCMXWMBMGGNOCX-KQQUZDAGSA-N
MW447.42 g/mol
LogP6.92
Rot. Bonds6

About 4-[(E)-2-[3-bromo-5-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline

4-[(E)-2-[3-bromo-5-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline (PubChem CID 10895598) has the molecular formula C26H27BrN2 and a molecular weight of 447.42 g/mol. Its IUPAC name is 4-[(E)-2-[3-bromo-5-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(E)-2-[3-bromo-5-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline
PubChem CID10895598
Molecular FormulaC26H27BrN2
Molecular Weight447.42 g/mol
Exact Mass446.14
IUPAC Name4-[(E)-2-[3-bromo-5-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(/C=C/c2cc(Br)cc(/C=C/c3ccc(N(C)C)cc3)c2)cc1
InChIInChI=1S/C26H27BrN2/c1-28(2)25-13-9-20(10-14-25)5-7-22-17-23(19-24(27)18-22)8-6-21-11-15-26(16-12-21)29(3)4/h5-19H,1-4H3/b7-5+,8-6+
InChIKeyQCMXWMBMGGNOCX-KQQUZDAGSA-N
XLogP6.92
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.42
LogP ≤ 56.92
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-[(Z)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline
CID 92530704
4-N-[4-[(E)-2-[4-[(E)-2-[4-[4-(dimethylamino)-N-[4-(dimethylamino)phenyl]anilino]phenyl]ethenyl]phenyl]ethenyl]phenyl]-4-N-[4-(dimethylamino)phenyl]-1-N,1-N-dimethylbenzene-1,4-diamine
CID 166784252
N,N-dimethyl-4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]aniline
CID 132506209
4-[2-(3,5-dimethoxyphenyl)ethenyl]-N,N-dimethylaniline
CID 85073346
4-[(E)-2-[4-[(E)-2-[3,5-bis[(E)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2,5-dimethoxyphenyl]ethenyl]phenyl]ethenyl]-2,5-dimethoxyphenyl]ethenyl]-N,N-dimethylaniline
CID 101371882
4-[(E)-2-(4-iodophenyl)ethenyl]-N,N-dimethylaniline
CID 10936986
4-[(1E,4E)-5-[4-(dimethylamino)phenyl]penta-1,4-dienyl]-N,N-dimethylaniline
CID 58612965
4-[(E)-2-[4-[bis[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]methyl]phenyl]ethenyl]-N,N-dimethylaniline
CID 99649280
N,N-dimethyl-4-[2-(3,4,5-trimethoxyphenyl)ethenyl]aniline
CID 54188943
4-[2-[4-(diethylamino)phenyl]ethenyl]-N,N-dimethylaniline
CID 71427638
N,N-dimethyl-4-[(E)-2-(3-methylphenyl)ethenyl]aniline
CID 6538430
(E)-3-[4-(dimethylamino)phenyl]-N-hydroxyprop-2-enamide
CID 11956153

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[3-bromo-5-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline?
The IUPAC name of 4-[(E)-2-[3-bromo-5-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline (CID 10895598) is 4-[(E)-2-[3-bromo-5-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[(E)-2-[3-bromo-5-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[(E)-2-[3-bromo-5-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline is CN(C)c1ccc(/C=C/c2cc(Br)cc(/C=C/c3ccc(N(C)C)cc3)c2)cc1.
What is the InChIKey of 4-[(E)-2-[3-bromo-5-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline?
The InChIKey is QCMXWMBMGGNOCX-KQQUZDAGSA-N. The full InChI is InChI=1S/C26H27BrN2/c1-28(2)25-13-9-20(10-14-25)5-7-22-17-23(19-24(27)18-22)8-6-21-11-15-26(16-12-21)29(3)4/h5-19H,1-4H3/b7-5+,8-6+.
What are the key properties of 4-[(E)-2-[3-bromo-5-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline?
4-[(E)-2-[3-bromo-5-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline has a molecular weight of 447.42 g/mol, XLogP of 6.92, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[3-bromo-5-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline is sourced from PubChem (CID 10895598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).