1-bromo-2-[(Z)-2-[2-bromo-4-[(Z)-2-(2-bromo-5-chlorophenyl)ethenyl]phenyl]ethenyl]-4-chlorobenzene

C22H13Br3Cl2 — CID 134943215

IUPAC1-bromo-2-[(Z)-2-[2-bromo-4-[(Z)-2-(2-bromo-5-chlorophenyl)ethenyl]phenyl]ethenyl]-4-chlorobenzene
SMILESClc1ccc(Br)c(/C=C\c2ccc(/C=C\c3cc(Cl)ccc3Br)c(Br)c2)c1
InChIInChI=1S/C22H13Br3Cl2/c23-20-9-7-18(26)12-16(20)4-2-14-1-3-15(22(25)11-14)5-6-17-13-19(27)8-10-21(17)24/h1-13H/b4-2-,6-5-
InChIKeyJRSZQRFQOUUFMV-WJHFOESGSA-N
MW587.96 g/mol
LogP9.62
Rot. Bonds4

About 1-bromo-2-[(Z)-2-[2-bromo-4-[(Z)-2-(2-bromo-5-chlorophenyl)ethenyl]phenyl]ethenyl]-4-chlorobenzene

1-bromo-2-[(Z)-2-[2-bromo-4-[(Z)-2-(2-bromo-5-chlorophenyl)ethenyl]phenyl]ethenyl]-4-chlorobenzene (PubChem CID 134943215) has the molecular formula C22H13Br3Cl2 and a molecular weight of 587.96 g/mol. Its IUPAC name is 1-bromo-2-[(Z)-2-[2-bromo-4-[(Z)-2-(2-bromo-5-chlorophenyl)ethenyl]phenyl]ethenyl]-4-chlorobenzene.

Molecular Properties

Compound Name1-bromo-2-[(Z)-2-[2-bromo-4-[(Z)-2-(2-bromo-5-chlorophenyl)ethenyl]phenyl]ethenyl]-4-chlorobenzene
PubChem CID134943215
Molecular FormulaC22H13Br3Cl2
Molecular Weight587.96 g/mol
Exact Mass583.79
IUPAC Name1-bromo-2-[(Z)-2-[2-bromo-4-[(Z)-2-(2-bromo-5-chlorophenyl)ethenyl]phenyl]ethenyl]-4-chlorobenzene
SMILESClc1ccc(Br)c(/C=C\c2ccc(/C=C\c3cc(Cl)ccc3Br)c(Br)c2)c1
InChIInChI=1S/C22H13Br3Cl2/c23-20-9-7-18(26)12-16(20)4-2-14-1-3-15(22(25)11-14)5-6-17-13-19(27)8-10-21(17)24/h1-13H/b4-2-,6-5-
InChIKeyJRSZQRFQOUUFMV-WJHFOESGSA-N
XLogP9.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.96
LogP ≤ 59.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,4-Dibromo-2,5-bis(4-chloro-2-fluorophenyl)benzene
CID 154709389
1-((Z)-2-bromo-3-methylstyryl)-4-((Z)-2-bromo-5-chlorostyryl)-2,3-difluorobenzene
CID 167713766
(2-Bromo-5-chloro-phenyl)methyl-triphenyl-phosphonium bromide
CID 10745165
1-Bromo-4-chloro-2,5-dimethylbenzene
CID 18004187
1-Bromo-2-(bromomethyl)-4-chloro-5-(4-ethylbenzyl)benzene
CID 68740201
(Z)-1-bromo-2-(2-bromostyryl)-4-chlorobenzene
CID 86677619
1-bromo-2-[(Z)-2-(2-bromo-5-chlorophenyl)ethenyl]-4-chlorobenzene
CID 89425176
1,4-dibromo-2,5-bis[(Z)-2-(2-bromo-5-chlorophenyl)ethenyl]benzene
CID 89425177
1-bromo-2-[(E)-2-(3-chlorophenyl)ethenyl]benzene
CID 139240524
4-(2-Bromophenyl)-1-(3-chlorophenyl)-2-fluorobenzene
CID 91502159
1-(3-Bromophenyl)-2-chloro-4-(2-fluorophenyl)benzene
CID 173507004
2-Bromo-1-(3-chlorophenyl)-4-[2-(trifluoromethyl)phenyl]benzene
CID 173609739

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-[(Z)-2-[2-bromo-4-[(Z)-2-(2-bromo-5-chlorophenyl)ethenyl]phenyl]ethenyl]-4-chlorobenzene?
The IUPAC name of 1-bromo-2-[(Z)-2-[2-bromo-4-[(Z)-2-(2-bromo-5-chlorophenyl)ethenyl]phenyl]ethenyl]-4-chlorobenzene (CID 134943215) is 1-bromo-2-[(Z)-2-[2-bromo-4-[(Z)-2-(2-bromo-5-chlorophenyl)ethenyl]phenyl]ethenyl]-4-chlorobenzene.
What is the SMILES notation for 1-bromo-2-[(Z)-2-[2-bromo-4-[(Z)-2-(2-bromo-5-chlorophenyl)ethenyl]phenyl]ethenyl]-4-chlorobenzene?
The canonical SMILES for 1-bromo-2-[(Z)-2-[2-bromo-4-[(Z)-2-(2-bromo-5-chlorophenyl)ethenyl]phenyl]ethenyl]-4-chlorobenzene is Clc1ccc(Br)c(/C=C\c2ccc(/C=C\c3cc(Cl)ccc3Br)c(Br)c2)c1.
What is the InChIKey of 1-bromo-2-[(Z)-2-[2-bromo-4-[(Z)-2-(2-bromo-5-chlorophenyl)ethenyl]phenyl]ethenyl]-4-chlorobenzene?
The InChIKey is JRSZQRFQOUUFMV-WJHFOESGSA-N. The full InChI is InChI=1S/C22H13Br3Cl2/c23-20-9-7-18(26)12-16(20)4-2-14-1-3-15(22(25)11-14)5-6-17-13-19(27)8-10-21(17)24/h1-13H/b4-2-,6-5-.
What are the key properties of 1-bromo-2-[(Z)-2-[2-bromo-4-[(Z)-2-(2-bromo-5-chlorophenyl)ethenyl]phenyl]ethenyl]-4-chlorobenzene?
1-bromo-2-[(Z)-2-[2-bromo-4-[(Z)-2-(2-bromo-5-chlorophenyl)ethenyl]phenyl]ethenyl]-4-chlorobenzene has a molecular weight of 587.96 g/mol, XLogP of 9.62, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-[(Z)-2-[2-bromo-4-[(Z)-2-(2-bromo-5-chlorophenyl)ethenyl]phenyl]ethenyl]-4-chlorobenzene is sourced from PubChem (CID 134943215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).