1,4-dibromo-2,5-bis[(E)-2-(2-bromo-5-chlorophenyl)ethenyl]benzene

C22H12Br4Cl2 — CID 87407313

IUPAC1,4-dibromo-2,5-bis[(E)-2-(2-bromo-5-chlorophenyl)ethenyl]benzene
SMILESClc1ccc(Br)c(/C=C/c2cc(Br)c(/C=C/c3cc(Cl)ccc3Br)cc2Br)c1
InChIInChI=1S/C22H12Br4Cl2/c23-19-7-5-17(27)9-13(19)1-3-15-11-22(26)16(12-21(15)25)4-2-14-10-18(28)6-8-20(14)24/h1-12H/b3-1+,4-2+
InChIKeyLJZPLOQVMKOIPO-ZPUQHVIOSA-N
MW666.86 g/mol
LogP10.38
Rot. Bonds4

About 1,4-dibromo-2,5-bis[(E)-2-(2-bromo-5-chlorophenyl)ethenyl]benzene

1,4-dibromo-2,5-bis[(E)-2-(2-bromo-5-chlorophenyl)ethenyl]benzene (PubChem CID 87407313) has the molecular formula C22H12Br4Cl2 and a molecular weight of 666.86 g/mol. Its IUPAC name is 1,4-dibromo-2,5-bis[(E)-2-(2-bromo-5-chlorophenyl)ethenyl]benzene.

Molecular Properties

Compound Name1,4-dibromo-2,5-bis[(E)-2-(2-bromo-5-chlorophenyl)ethenyl]benzene
PubChem CID87407313
Molecular FormulaC22H12Br4Cl2
Molecular Weight666.86 g/mol
Exact Mass661.70
IUPAC Name1,4-dibromo-2,5-bis[(E)-2-(2-bromo-5-chlorophenyl)ethenyl]benzene
SMILESClc1ccc(Br)c(/C=C/c2cc(Br)c(/C=C/c3cc(Cl)ccc3Br)cc2Br)c1
InChIInChI=1S/C22H12Br4Cl2/c23-19-7-5-17(27)9-13(19)1-3-15-11-22(26)16(12-21(15)25)4-2-14-10-18(28)6-8-20(14)24/h1-12H/b3-1+,4-2+
InChIKeyLJZPLOQVMKOIPO-ZPUQHVIOSA-N
XLogP10.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.86
LogP ≤ 510.38
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
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
1,5-dibromo-2,4-bis[(Z)-2-(2-bromo-5-chlorophenyl)ethenyl]benzene
CID 101581713
1-bromo-2-[(Z)-2-[2-bromo-4-[(Z)-2-(2-bromo-5-chlorophenyl)ethenyl]phenyl]ethenyl]-4-chlorobenzene
CID 134943215
1,4-Dibromo-2,5-bis[2-(2,6-dichlorophenyl)ethynyl]benzene
CID 138980256
1,4-Dibromo-2-[chloro-(3-chloro-2-fluorophenyl)methyl]-5-methylbenzene
CID 81473888
1,4-Dibromo-2-[chloro-(5-chloro-2-fluorophenyl)methyl]-5-methylbenzene
CID 81474318
1,4-Dibromo-2-[chloro-(3-chloro-4-fluorophenyl)methyl]-5-methylbenzene
CID 82878855

Frequently Asked Questions

What is the IUPAC name of 1,4-dibromo-2,5-bis[(E)-2-(2-bromo-5-chlorophenyl)ethenyl]benzene?
The IUPAC name of 1,4-dibromo-2,5-bis[(E)-2-(2-bromo-5-chlorophenyl)ethenyl]benzene (CID 87407313) is 1,4-dibromo-2,5-bis[(E)-2-(2-bromo-5-chlorophenyl)ethenyl]benzene.
What is the SMILES notation for 1,4-dibromo-2,5-bis[(E)-2-(2-bromo-5-chlorophenyl)ethenyl]benzene?
The canonical SMILES for 1,4-dibromo-2,5-bis[(E)-2-(2-bromo-5-chlorophenyl)ethenyl]benzene is Clc1ccc(Br)c(/C=C/c2cc(Br)c(/C=C/c3cc(Cl)ccc3Br)cc2Br)c1.
What is the InChIKey of 1,4-dibromo-2,5-bis[(E)-2-(2-bromo-5-chlorophenyl)ethenyl]benzene?
The InChIKey is LJZPLOQVMKOIPO-ZPUQHVIOSA-N. The full InChI is InChI=1S/C22H12Br4Cl2/c23-19-7-5-17(27)9-13(19)1-3-15-11-22(26)16(12-21(15)25)4-2-14-10-18(28)6-8-20(14)24/h1-12H/b3-1+,4-2+.
What are the key properties of 1,4-dibromo-2,5-bis[(E)-2-(2-bromo-5-chlorophenyl)ethenyl]benzene?
1,4-dibromo-2,5-bis[(E)-2-(2-bromo-5-chlorophenyl)ethenyl]benzene has a molecular weight of 666.86 g/mol, XLogP of 10.38, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dibromo-2,5-bis[(E)-2-(2-bromo-5-chlorophenyl)ethenyl]benzene is sourced from PubChem (CID 87407313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).