1-(2-bromophenyl)-3-[2-bromo-4-(trifluoromethyl)phenyl]-5-(2-chlorophenyl)benzene

C25H14Br2ClF3 — CID 142438749

IUPAC1-(2-bromophenyl)-3-[2-bromo-4-(trifluoromethyl)phenyl]-5-(2-chlorophenyl)benzene
SMILESFC(F)(F)c1ccc(-c2cc(-c3ccccc3Cl)cc(-c3ccccc3Br)c2)c(Br)c1
InChIInChI=1S/C25H14Br2ClF3/c26-22-7-3-1-5-19(22)15-11-16(13-17(12-15)21-6-2-4-8-24(21)28)20-10-9-18(14-23(20)27)25(29,30)31/h1-14H
InChIKeyFFDXGYZKIQTYDJ-UHFFFAOYSA-N
MW566.64 g/mol
LogP9.88
Rot. Bonds3

About 1-(2-bromophenyl)-3-[2-bromo-4-(trifluoromethyl)phenyl]-5-(2-chlorophenyl)benzene

1-(2-bromophenyl)-3-[2-bromo-4-(trifluoromethyl)phenyl]-5-(2-chlorophenyl)benzene (PubChem CID 142438749) has the molecular formula C25H14Br2ClF3 and a molecular weight of 566.64 g/mol. Its IUPAC name is 1-(2-bromophenyl)-3-[2-bromo-4-(trifluoromethyl)phenyl]-5-(2-chlorophenyl)benzene.

Molecular Properties

Compound Name1-(2-bromophenyl)-3-[2-bromo-4-(trifluoromethyl)phenyl]-5-(2-chlorophenyl)benzene
PubChem CID142438749
Molecular FormulaC25H14Br2ClF3
Molecular Weight566.64 g/mol
Exact Mass563.91
IUPAC Name1-(2-bromophenyl)-3-[2-bromo-4-(trifluoromethyl)phenyl]-5-(2-chlorophenyl)benzene
SMILESFC(F)(F)c1ccc(-c2cc(-c3ccccc3Cl)cc(-c3ccccc3Br)c2)c(Br)c1
InChIInChI=1S/C25H14Br2ClF3/c26-22-7-3-1-5-19(22)15-11-16(13-17(12-15)21-6-2-4-8-24(21)28)20-10-9-18(14-23(20)27)25(29,30)31/h1-14H
InChIKeyFFDXGYZKIQTYDJ-UHFFFAOYSA-N
XLogP9.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.64
LogP ≤ 59.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-Bromo-2-[[2-bromo-4-phenyl-6-(trifluoromethyl)phenyl]methyl]-5-phenyl-3-(trifluoromethyl)benzene
CID 86223160
1-Bromo-2-(4-chloro-2-fluorophenyl)naphthalene
CID 154709386
1,4-Dibromo-2,5-bis(4-chloro-2-fluorophenyl)benzene
CID 154709389
2,7-Dibromo-3,6-bis(4-chloro-2-fluorophenyl)naphthalene
CID 154709390
1-bromo-2-[(Z)-2-[4-[(Z)-2-(2-bromo-5-chlorophenyl)ethenyl]-2,3-difluorophenyl]ethenyl]naphthalene
CID 167713767
1-[4-[2-(2-Bromo-3-but-1-en-2-ylphenyl)ethyl]phenyl]-2-chloro-4,5-difluorobenzene
CID 68337360
4-(3-Bromophenyl)-1-chloro-2-(trifluoromethyl)benzene
CID 90985566
1-Bromo-2-[4-[4-[4-[2-bromo-5-(trifluoromethyl)phenyl]-2-methylphenyl]-5-chloro-2-methylphenyl]-2-methylphenyl]-4-methyl-5-(3-methylphenyl)benzene
CID 91025842
1-(3-Bromophenyl)-4-(2-chlorophenyl)-2-fluorobenzene
CID 91326561
4-(2-Bromophenyl)-1-(3-chlorophenyl)-2-fluorobenzene
CID 91502159
1-(5-Bromo-2-fluorophenyl)-2-chloro-4-(2,5-dichlorophenyl)-5-fluorobenzene
CID 123513311
1-(3-Bromo-5-fluorophenyl)-4-[4-[4-(2-chloro-6-fluorophenyl)-2-fluorophenyl]phenyl]-2,5-difluorobenzene
CID 124019866

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-3-[2-bromo-4-(trifluoromethyl)phenyl]-5-(2-chlorophenyl)benzene?
The IUPAC name of 1-(2-bromophenyl)-3-[2-bromo-4-(trifluoromethyl)phenyl]-5-(2-chlorophenyl)benzene (CID 142438749) is 1-(2-bromophenyl)-3-[2-bromo-4-(trifluoromethyl)phenyl]-5-(2-chlorophenyl)benzene.
What is the SMILES notation for 1-(2-bromophenyl)-3-[2-bromo-4-(trifluoromethyl)phenyl]-5-(2-chlorophenyl)benzene?
The canonical SMILES for 1-(2-bromophenyl)-3-[2-bromo-4-(trifluoromethyl)phenyl]-5-(2-chlorophenyl)benzene is FC(F)(F)c1ccc(-c2cc(-c3ccccc3Cl)cc(-c3ccccc3Br)c2)c(Br)c1.
What is the InChIKey of 1-(2-bromophenyl)-3-[2-bromo-4-(trifluoromethyl)phenyl]-5-(2-chlorophenyl)benzene?
The InChIKey is FFDXGYZKIQTYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H14Br2ClF3/c26-22-7-3-1-5-19(22)15-11-16(13-17(12-15)21-6-2-4-8-24(21)28)20-10-9-18(14-23(20)27)25(29,30)31/h1-14H.
What are the key properties of 1-(2-bromophenyl)-3-[2-bromo-4-(trifluoromethyl)phenyl]-5-(2-chlorophenyl)benzene?
1-(2-bromophenyl)-3-[2-bromo-4-(trifluoromethyl)phenyl]-5-(2-chlorophenyl)benzene has a molecular weight of 566.64 g/mol, XLogP of 9.88, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-3-[2-bromo-4-(trifluoromethyl)phenyl]-5-(2-chlorophenyl)benzene is sourced from PubChem (CID 142438749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).