1-bromo-4-[4-[2-[4-(4-bromophenoxy)phenyl]-1,2-diphenylethenyl]phenoxy]benzene

C38H26Br2O2 — CID 156703039

IUPAC1-bromo-4-[4-[2-[4-(4-bromophenoxy)phenyl]-1,2-diphenylethenyl]phenoxy]benzene
SMILESBrc1ccc(Oc2ccc(C(=C(c3ccccc3)c3ccc(Oc4ccc(Br)cc4)cc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C38H26Br2O2/c39-31-15-23-35(24-16-31)41-33-19-11-29(12-20-33)37(27-7-3-1-4-8-27)38(28-9-5-2-6-10-28)30-13-21-34(22-14-30)42-36-25-17-32(40)18-26-36/h1-26H
InChIKeyPLHYDPOZKJIGBR-UHFFFAOYSA-N
MW674.43 g/mol
LogP11.80
Rot. Bonds8

About 1-bromo-4-[4-[2-[4-(4-bromophenoxy)phenyl]-1,2-diphenylethenyl]phenoxy]benzene

1-bromo-4-[4-[2-[4-(4-bromophenoxy)phenyl]-1,2-diphenylethenyl]phenoxy]benzene (PubChem CID 156703039) has the molecular formula C38H26Br2O2 and a molecular weight of 674.43 g/mol. Its IUPAC name is 1-bromo-4-[4-[2-[4-(4-bromophenoxy)phenyl]-1,2-diphenylethenyl]phenoxy]benzene.

Molecular Properties

Compound Name1-bromo-4-[4-[2-[4-(4-bromophenoxy)phenyl]-1,2-diphenylethenyl]phenoxy]benzene
PubChem CID156703039
Molecular FormulaC38H26Br2O2
Molecular Weight674.43 g/mol
Exact Mass672.03
IUPAC Name1-bromo-4-[4-[2-[4-(4-bromophenoxy)phenyl]-1,2-diphenylethenyl]phenoxy]benzene
SMILESBrc1ccc(Oc2ccc(C(=C(c3ccccc3)c3ccc(Oc4ccc(Br)cc4)cc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C38H26Br2O2/c39-31-15-23-35(24-16-31)41-33-19-11-29(12-20-33)37(27-7-3-1-4-8-27)38(28-9-5-2-6-10-28)30-13-21-34(22-14-30)42-36-25-17-32(40)18-26-36/h1-26H
InChIKeyPLHYDPOZKJIGBR-UHFFFAOYSA-N
XLogP11.80
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.43
LogP ≤ 511.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-bromo-4-[4-[2-[4-(4-bromophenoxy)phenyl]-1,2-diphenylethenyl]phenoxy]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-[(E)-2-(4-methoxyphenyl)-1,2-diphenylethenyl]benzene
CID 132514241
(4-bromophenyl)-(4-phenoxyphenyl)methanone
CID 139928353
1-[2,2-bis(4-methylphenyl)-1-[4-[4-[(Z)-2-(4-methylphenyl)-1,2-diphenylethenyl]phenoxy]phenyl]ethenyl]-4-methylbenzene
CID 58942110
4-[2-(4-bromophenyl)-1,2-diphenylethenyl]phenol
CID 141454768
1-bromo-4-[1,2,2-tris(4-bromophenyl)ethenyl]benzene
CID 11828419
1-bromo-4-(4-bromophenoxy)benzene
CID 16305
N,N-bis(4-bromophenyl)-4-(1,2,2-triphenylethenyl)aniline
CID 132556766
1-bromo-4-(2-methyl-1-phenylprop-1-enyl)benzene
CID 15039495
1-bromo-4-[1-(4-octoxyphenyl)-2,2-diphenylethenyl]benzene
CID 134249125
2-(4-bromophenyl)-1-(4-phenoxyphenyl)ethanone
CID 14256935
[4-[4-(4-benzoylphenoxy)phenoxy]phenyl]-phenylmethanone
CID 14669951
(4-bromophenyl) 3-phenoxybenzoate
CID 7900834

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[4-[2-[4-(4-bromophenoxy)phenyl]-1,2-diphenylethenyl]phenoxy]benzene?
The IUPAC name of 1-bromo-4-[4-[2-[4-(4-bromophenoxy)phenyl]-1,2-diphenylethenyl]phenoxy]benzene (CID 156703039) is 1-bromo-4-[4-[2-[4-(4-bromophenoxy)phenyl]-1,2-diphenylethenyl]phenoxy]benzene.
What is the SMILES notation for 1-bromo-4-[4-[2-[4-(4-bromophenoxy)phenyl]-1,2-diphenylethenyl]phenoxy]benzene?
The canonical SMILES for 1-bromo-4-[4-[2-[4-(4-bromophenoxy)phenyl]-1,2-diphenylethenyl]phenoxy]benzene is Brc1ccc(Oc2ccc(C(=C(c3ccccc3)c3ccc(Oc4ccc(Br)cc4)cc3)c3ccccc3)cc2)cc1.
What is the InChIKey of 1-bromo-4-[4-[2-[4-(4-bromophenoxy)phenyl]-1,2-diphenylethenyl]phenoxy]benzene?
The InChIKey is PLHYDPOZKJIGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H26Br2O2/c39-31-15-23-35(24-16-31)41-33-19-11-29(12-20-33)37(27-7-3-1-4-8-27)38(28-9-5-2-6-10-28)30-13-21-34(22-14-30)42-36-25-17-32(40)18-26-36/h1-26H.
What are the key properties of 1-bromo-4-[4-[2-[4-(4-bromophenoxy)phenyl]-1,2-diphenylethenyl]phenoxy]benzene?
1-bromo-4-[4-[2-[4-(4-bromophenoxy)phenyl]-1,2-diphenylethenyl]phenoxy]benzene has a molecular weight of 674.43 g/mol, XLogP of 11.80, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[4-[2-[4-(4-bromophenoxy)phenyl]-1,2-diphenylethenyl]phenoxy]benzene is sourced from PubChem (CID 156703039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).