1-bromo-4-[(E)-2-(4-methoxyphenyl)-1,2-diphenylethenyl]benzene

C27H21BrO — CID 132514241

IUPAC1-bromo-4-[(E)-2-(4-methoxyphenyl)-1,2-diphenylethenyl]benzene
SMILESCOc1ccc(/C(=C(\c2ccccc2)c2ccc(Br)cc2)c2ccccc2)cc1
InChIInChI=1S/C27H21BrO/c1-29-25-18-14-23(15-19-25)27(21-10-6-3-7-11-21)26(20-8-4-2-5-9-20)22-12-16-24(28)17-13-22/h2-19H,1H3/b27-26+
InChIKeyFRDPXFLTRQSBQM-CYYJNZCTSA-N
MW441.37 g/mol
LogP7.47
Rot. Bonds5

About 1-bromo-4-[(E)-2-(4-methoxyphenyl)-1,2-diphenylethenyl]benzene

1-bromo-4-[(E)-2-(4-methoxyphenyl)-1,2-diphenylethenyl]benzene (PubChem CID 132514241) has the molecular formula C27H21BrO and a molecular weight of 441.37 g/mol. Its IUPAC name is 1-bromo-4-[(E)-2-(4-methoxyphenyl)-1,2-diphenylethenyl]benzene.

Molecular Properties

Compound Name1-bromo-4-[(E)-2-(4-methoxyphenyl)-1,2-diphenylethenyl]benzene
PubChem CID132514241
Molecular FormulaC27H21BrO
Molecular Weight441.37 g/mol
Exact Mass440.08
IUPAC Name1-bromo-4-[(E)-2-(4-methoxyphenyl)-1,2-diphenylethenyl]benzene
SMILESCOc1ccc(/C(=C(\c2ccccc2)c2ccc(Br)cc2)c2ccccc2)cc1
InChIInChI=1S/C27H21BrO/c1-29-25-18-14-23(15-19-25)27(21-10-6-3-7-11-21)26(20-8-4-2-5-9-20)22-12-16-24(28)17-13-22/h2-19H,1H3/b27-26+
InChIKeyFRDPXFLTRQSBQM-CYYJNZCTSA-N
XLogP7.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.37
LogP ≤ 57.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 1-bromo-4-[(E)-2-(4-methoxyphenyl)-1,2-diphenylethenyl]benzene 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

1-bromo-4-[4-[2-[4-(4-bromophenoxy)phenyl]-1,2-diphenylethenyl]phenoxy]benzene
CID 156703039
[4-[2,2-bis(4-methoxyphenyl)-1-phenylethenyl]phenyl]-phenylmethanone
CID 134955229
4-[(E)-2-(4-formylphenyl)-2-(4-methoxyphenyl)-1-phenylethenyl]benzaldehyde
CID 102406735
acetic acid;4-[1-(4-methoxyphenyl)-2,2-diphenylethenyl]phenol
CID 71403634
(4-bromophenyl)-(4-methoxyphenyl)methanone
CID 794333
4-[2-(4-bromophenyl)-1,2-diphenylethenyl]phenol
CID 141454768
anisole;1-bromo-4-(4-bromophenyl)benzene
CID 159969810
1-bromo-4-(2-methyl-1-phenylprop-1-enyl)benzene
CID 15039495
N-[[(4-bromophenyl)-phenylmethylidene]amino]-4-methoxybenzamide
CID 2288457
1-bromo-4-[1-(4-octoxyphenyl)-2,2-diphenylethenyl]benzene
CID 134249125
bromobenzene;methane;2-(4-methoxyphenyl)-3,3-diphenylprop-2-enenitrile;(E)-3-(4-methoxyphenyl)-2,3-diphenylprop-2-enenitrile;1-methoxy-4-(2-phenylethynyl)benzene
CID 160613104
1-bromo-4-[1,2,2-tris(4-bromophenyl)ethenyl]benzene
CID 11828419

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[(E)-2-(4-methoxyphenyl)-1,2-diphenylethenyl]benzene?
The IUPAC name of 1-bromo-4-[(E)-2-(4-methoxyphenyl)-1,2-diphenylethenyl]benzene (CID 132514241) is 1-bromo-4-[(E)-2-(4-methoxyphenyl)-1,2-diphenylethenyl]benzene.
What is the SMILES notation for 1-bromo-4-[(E)-2-(4-methoxyphenyl)-1,2-diphenylethenyl]benzene?
The canonical SMILES for 1-bromo-4-[(E)-2-(4-methoxyphenyl)-1,2-diphenylethenyl]benzene is COc1ccc(/C(=C(\c2ccccc2)c2ccc(Br)cc2)c2ccccc2)cc1.
What is the InChIKey of 1-bromo-4-[(E)-2-(4-methoxyphenyl)-1,2-diphenylethenyl]benzene?
The InChIKey is FRDPXFLTRQSBQM-CYYJNZCTSA-N. The full InChI is InChI=1S/C27H21BrO/c1-29-25-18-14-23(15-19-25)27(21-10-6-3-7-11-21)26(20-8-4-2-5-9-20)22-12-16-24(28)17-13-22/h2-19H,1H3/b27-26+.
What are the key properties of 1-bromo-4-[(E)-2-(4-methoxyphenyl)-1,2-diphenylethenyl]benzene?
1-bromo-4-[(E)-2-(4-methoxyphenyl)-1,2-diphenylethenyl]benzene has a molecular weight of 441.37 g/mol, XLogP of 7.47, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[(E)-2-(4-methoxyphenyl)-1,2-diphenylethenyl]benzene is sourced from PubChem (CID 132514241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).