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

C22H12Br4Cl2 — CID 89425178

IUPAC1,4-dibromo-2,5-bis[(Z)-2-(2-bromo-4-chlorophenyl)ethenyl]benzene
SMILESClc1ccc(/C=C\c2cc(Br)c(/C=C\c3ccc(Cl)cc3Br)cc2Br)c(Br)c1
InChIInChI=1S/C22H12Br4Cl2/c23-19-10-16(4-2-14-6-8-18(28)12-22(14)26)20(24)9-15(19)3-1-13-5-7-17(27)11-21(13)25/h1-12H/b3-1-,4-2-
InChIKeyDPNHZBSNKHKBST-CCAGOZQPSA-N
MW666.86 g/mol
LogP10.38
Rot. Bonds4

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

1,4-dibromo-2,5-bis[(Z)-2-(2-bromo-4-chlorophenyl)ethenyl]benzene (PubChem CID 89425178) has the molecular formula C22H12Br4Cl2 and a molecular weight of 666.86 g/mol. Its IUPAC name is 1,4-dibromo-2,5-bis[(Z)-2-(2-bromo-4-chlorophenyl)ethenyl]benzene.

Molecular Properties

Compound Name1,4-dibromo-2,5-bis[(Z)-2-(2-bromo-4-chlorophenyl)ethenyl]benzene
PubChem CID89425178
Molecular FormulaC22H12Br4Cl2
Molecular Weight666.86 g/mol
Exact Mass661.70
IUPAC Name1,4-dibromo-2,5-bis[(Z)-2-(2-bromo-4-chlorophenyl)ethenyl]benzene
SMILESClc1ccc(/C=C\c2cc(Br)c(/C=C\c3ccc(Cl)cc3Br)cc2Br)c(Br)c1
InChIInChI=1S/C22H12Br4Cl2/c23-19-10-16(4-2-14-6-8-18(28)12-22(14)26)20(24)9-15(19)3-1-13-5-7-17(27)11-21(13)25/h1-12H/b3-1-,4-2-
InChIKeyDPNHZBSNKHKBST-CCAGOZQPSA-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
1,4-dibromo-2,5-bis[(Z)-2-(2-bromo-5-chlorophenyl)ethenyl]benzene
CID 89425177
Bis(2-bromo-4-chlorophenyl)methane
CID 164883877
1,5-dibromo-2,4-bis[(Z)-2-(2-bromo-4-chlorophenyl)ethenyl]benzene
CID 101581714
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-(4-chloro-2-fluorophenyl)methyl]-5-methylbenzene
CID 81472975
1,4-Dibromo-2-[chloro-(4-chloro-3-fluorophenyl)methyl]-5-methylbenzene
CID 107992105
1-[2,2-Bis(4-chlorophenyl)ethenyl]-2-bromobenzene
CID 285939
1,4-Dibromo-2,5-bis(2-bromo-4,5-dichlorophenyl)benzene
CID 57552907
1-Bromo-3-[4-(4-chlorophenyl)phenyl]benzene
CID 71132921
1,4-dibromo-2,5-bis[(E)-2-(2-bromo-5-chlorophenyl)ethenyl]benzene
CID 87407313

Frequently Asked Questions

What is the IUPAC name of 1,4-dibromo-2,5-bis[(Z)-2-(2-bromo-4-chlorophenyl)ethenyl]benzene?
The IUPAC name of 1,4-dibromo-2,5-bis[(Z)-2-(2-bromo-4-chlorophenyl)ethenyl]benzene (CID 89425178) is 1,4-dibromo-2,5-bis[(Z)-2-(2-bromo-4-chlorophenyl)ethenyl]benzene.
What is the SMILES notation for 1,4-dibromo-2,5-bis[(Z)-2-(2-bromo-4-chlorophenyl)ethenyl]benzene?
The canonical SMILES for 1,4-dibromo-2,5-bis[(Z)-2-(2-bromo-4-chlorophenyl)ethenyl]benzene is Clc1ccc(/C=C\c2cc(Br)c(/C=C\c3ccc(Cl)cc3Br)cc2Br)c(Br)c1.
What is the InChIKey of 1,4-dibromo-2,5-bis[(Z)-2-(2-bromo-4-chlorophenyl)ethenyl]benzene?
The InChIKey is DPNHZBSNKHKBST-CCAGOZQPSA-N. The full InChI is InChI=1S/C22H12Br4Cl2/c23-19-10-16(4-2-14-6-8-18(28)12-22(14)26)20(24)9-15(19)3-1-13-5-7-17(27)11-21(13)25/h1-12H/b3-1-,4-2-.
What are the key properties of 1,4-dibromo-2,5-bis[(Z)-2-(2-bromo-4-chlorophenyl)ethenyl]benzene?
1,4-dibromo-2,5-bis[(Z)-2-(2-bromo-4-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[(Z)-2-(2-bromo-4-chlorophenyl)ethenyl]benzene is sourced from PubChem (CID 89425178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).