1-chloro-4-[(1E,4E)-1,5-dibromo-5-(4-chlorophenyl)-3-(4-fluorophenyl)penta-1,4-dienyl]benzene

C23H15Br2Cl2F — CID 154711493

IUPAC1-chloro-4-[(1E,4E)-1,5-dibromo-5-(4-chlorophenyl)-3-(4-fluorophenyl)penta-1,4-dienyl]benzene
SMILESFc1ccc(C(/C=C(/Br)c2ccc(Cl)cc2)/C=C(/Br)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H15Br2Cl2F/c24-22(16-1-7-19(26)8-2-16)13-18(15-5-11-21(28)12-6-15)14-23(25)17-3-9-20(27)10-4-17/h1-14,18H/b22-13+,23-14+
InChIKeyVJVOUNVKWRGWPJ-MSKUYSOUSA-N
MW541.09 g/mol
LogP9.09
Rot. Bonds5

About 1-chloro-4-[(1E,4E)-1,5-dibromo-5-(4-chlorophenyl)-3-(4-fluorophenyl)penta-1,4-dienyl]benzene

1-chloro-4-[(1E,4E)-1,5-dibromo-5-(4-chlorophenyl)-3-(4-fluorophenyl)penta-1,4-dienyl]benzene (PubChem CID 154711493) has the molecular formula C23H15Br2Cl2F and a molecular weight of 541.09 g/mol. Its IUPAC name is 1-chloro-4-[(1E,4E)-1,5-dibromo-5-(4-chlorophenyl)-3-(4-fluorophenyl)penta-1,4-dienyl]benzene.

Molecular Properties

Compound Name1-chloro-4-[(1E,4E)-1,5-dibromo-5-(4-chlorophenyl)-3-(4-fluorophenyl)penta-1,4-dienyl]benzene
PubChem CID154711493
Molecular FormulaC23H15Br2Cl2F
Molecular Weight541.09 g/mol
Exact Mass537.89
IUPAC Name1-chloro-4-[(1E,4E)-1,5-dibromo-5-(4-chlorophenyl)-3-(4-fluorophenyl)penta-1,4-dienyl]benzene
SMILESFc1ccc(C(/C=C(/Br)c2ccc(Cl)cc2)/C=C(/Br)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H15Br2Cl2F/c24-22(16-1-7-19(26)8-2-16)13-18(15-5-11-21(28)12-6-15)14-23(25)17-3-9-20(27)10-4-17/h1-14,18H/b22-13+,23-14+
InChIKeyVJVOUNVKWRGWPJ-MSKUYSOUSA-N
XLogP9.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.09
LogP ≤ 59.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Tris(4-chlorophenyl)methane
CID 92256
Benzene, 1,1'-(bromomethylene)bis(4chloro-
CID 95197
4''-Chloro-4-ethyl-2',3-difluoro-1,1':4',1''-terphenyl
CID 23391189
MedFLT
CID 23391190
MeFLT
CID 23391193
4''-Chloro-2'-fluoro-4-hexyl-1,1':4',1''-terphenyl
CID 23391197
4-Chloro-2-fluoro-4''-propyl-1,1':4',1''-terphenyl
CID 23391200
1-(2-Bromophenyl)-4-chloro-2-fluorobenzene
CID 134938972
2,2-Bis(4-chlorophenyl)-1,1,1-tribromoethane
CID 20426
Ethane, 1,1-bis(4-chlorophenyl)-2,2-dibromo-
CID 101326
4-Bromo-4'-chloro-2-fluoro-1,1'-biphenyl
CID 19042620
1-Chloro-4-(3,3,3-trifluoro-1,1-diphenylprop-1-en-2-yl)benzene
CID 44382904

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[(1E,4E)-1,5-dibromo-5-(4-chlorophenyl)-3-(4-fluorophenyl)penta-1,4-dienyl]benzene?
The IUPAC name of 1-chloro-4-[(1E,4E)-1,5-dibromo-5-(4-chlorophenyl)-3-(4-fluorophenyl)penta-1,4-dienyl]benzene (CID 154711493) is 1-chloro-4-[(1E,4E)-1,5-dibromo-5-(4-chlorophenyl)-3-(4-fluorophenyl)penta-1,4-dienyl]benzene.
What is the SMILES notation for 1-chloro-4-[(1E,4E)-1,5-dibromo-5-(4-chlorophenyl)-3-(4-fluorophenyl)penta-1,4-dienyl]benzene?
The canonical SMILES for 1-chloro-4-[(1E,4E)-1,5-dibromo-5-(4-chlorophenyl)-3-(4-fluorophenyl)penta-1,4-dienyl]benzene is Fc1ccc(C(/C=C(/Br)c2ccc(Cl)cc2)/C=C(/Br)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-chloro-4-[(1E,4E)-1,5-dibromo-5-(4-chlorophenyl)-3-(4-fluorophenyl)penta-1,4-dienyl]benzene?
The InChIKey is VJVOUNVKWRGWPJ-MSKUYSOUSA-N. The full InChI is InChI=1S/C23H15Br2Cl2F/c24-22(16-1-7-19(26)8-2-16)13-18(15-5-11-21(28)12-6-15)14-23(25)17-3-9-20(27)10-4-17/h1-14,18H/b22-13+,23-14+.
What are the key properties of 1-chloro-4-[(1E,4E)-1,5-dibromo-5-(4-chlorophenyl)-3-(4-fluorophenyl)penta-1,4-dienyl]benzene?
1-chloro-4-[(1E,4E)-1,5-dibromo-5-(4-chlorophenyl)-3-(4-fluorophenyl)penta-1,4-dienyl]benzene has a molecular weight of 541.09 g/mol, XLogP of 9.09, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[(1E,4E)-1,5-dibromo-5-(4-chlorophenyl)-3-(4-fluorophenyl)penta-1,4-dienyl]benzene is sourced from PubChem (CID 154711493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).