1-(2-bromo-4-fluorophenyl)-3-(2-bromo-4-methylphenyl)-5-(2-chlorophenyl)benzene

C25H16Br2ClF — CID 142438784

IUPAC1-(2-bromo-4-fluorophenyl)-3-(2-bromo-4-methylphenyl)-5-(2-chlorophenyl)benzene
SMILESCc1ccc(-c2cc(-c3ccccc3Cl)cc(-c3ccc(F)cc3Br)c2)c(Br)c1
InChIInChI=1S/C25H16Br2ClF/c1-15-6-8-20(23(26)10-15)16-11-17(21-9-7-19(29)14-24(21)27)13-18(12-16)22-4-2-3-5-25(22)28/h2-14H,1H3
InChIKeyKBMBGPHLRBEHJY-UHFFFAOYSA-N
MW530.66 g/mol
LogP9.31
Rot. Bonds3

About 1-(2-bromo-4-fluorophenyl)-3-(2-bromo-4-methylphenyl)-5-(2-chlorophenyl)benzene

1-(2-bromo-4-fluorophenyl)-3-(2-bromo-4-methylphenyl)-5-(2-chlorophenyl)benzene (PubChem CID 142438784) has the molecular formula C25H16Br2ClF and a molecular weight of 530.66 g/mol. Its IUPAC name is 1-(2-bromo-4-fluorophenyl)-3-(2-bromo-4-methylphenyl)-5-(2-chlorophenyl)benzene.

Molecular Properties

Compound Name1-(2-bromo-4-fluorophenyl)-3-(2-bromo-4-methylphenyl)-5-(2-chlorophenyl)benzene
PubChem CID142438784
Molecular FormulaC25H16Br2ClF
Molecular Weight530.66 g/mol
Exact Mass527.93
IUPAC Name1-(2-bromo-4-fluorophenyl)-3-(2-bromo-4-methylphenyl)-5-(2-chlorophenyl)benzene
SMILESCc1ccc(-c2cc(-c3ccccc3Cl)cc(-c3ccc(F)cc3Br)c2)c(Br)c1
InChIInChI=1S/C25H16Br2ClF/c1-15-6-8-20(23(26)10-15)16-11-17(21-9-7-19(29)14-24(21)27)13-18(12-16)22-4-2-3-5-25(22)28/h2-14H,1H3
InChIKeyKBMBGPHLRBEHJY-UHFFFAOYSA-N
XLogP9.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.66
LogP ≤ 59.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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-((Z)-2-bromo-3-methylstyryl)-4-((Z)-2-bromo-5-chlorostyryl)-2,3-difluorobenzene
CID 167713766
1-bromo-2-[(Z)-2-[4-[(Z)-2-(2-bromo-5-chlorophenyl)ethenyl]-2,3-difluorophenyl]ethenyl]naphthalene
CID 167713767
3-Bromo-4'-chloro-4-ethyl-2'-fluorobiphenyl
CID 59450507
1-[4-[2-(2-Bromo-3-but-1-en-2-ylphenyl)ethyl]phenyl]-2-chloro-4,5-difluorobenzene
CID 68337360
1-Bromo-3-chloro-2-(2-fluoro-5-methylphenyl)benzene
CID 68414561
1-Bromo-3-chloro-2-(3-fluoro-5-methylphenyl)benzene
CID 68414800
2-[4-Bromo-2-(difluoromethyl)-3,5-difluorophenyl]-1-chloro-6-(4-propylphenyl)naphthalene
CID 87369144
1-[1-(4-Bromophenyl)-3-(4-fluorophenyl)propan-2-yl]-3-chloro-2-[(4-methylphenyl)methyl]benzene
CID 90994033
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

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-fluorophenyl)-3-(2-bromo-4-methylphenyl)-5-(2-chlorophenyl)benzene?
The IUPAC name of 1-(2-bromo-4-fluorophenyl)-3-(2-bromo-4-methylphenyl)-5-(2-chlorophenyl)benzene (CID 142438784) is 1-(2-bromo-4-fluorophenyl)-3-(2-bromo-4-methylphenyl)-5-(2-chlorophenyl)benzene.
What is the SMILES notation for 1-(2-bromo-4-fluorophenyl)-3-(2-bromo-4-methylphenyl)-5-(2-chlorophenyl)benzene?
The canonical SMILES for 1-(2-bromo-4-fluorophenyl)-3-(2-bromo-4-methylphenyl)-5-(2-chlorophenyl)benzene is Cc1ccc(-c2cc(-c3ccccc3Cl)cc(-c3ccc(F)cc3Br)c2)c(Br)c1.
What is the InChIKey of 1-(2-bromo-4-fluorophenyl)-3-(2-bromo-4-methylphenyl)-5-(2-chlorophenyl)benzene?
The InChIKey is KBMBGPHLRBEHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16Br2ClF/c1-15-6-8-20(23(26)10-15)16-11-17(21-9-7-19(29)14-24(21)27)13-18(12-16)22-4-2-3-5-25(22)28/h2-14H,1H3.
What are the key properties of 1-(2-bromo-4-fluorophenyl)-3-(2-bromo-4-methylphenyl)-5-(2-chlorophenyl)benzene?
1-(2-bromo-4-fluorophenyl)-3-(2-bromo-4-methylphenyl)-5-(2-chlorophenyl)benzene has a molecular weight of 530.66 g/mol, XLogP of 9.31, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-fluorophenyl)-3-(2-bromo-4-methylphenyl)-5-(2-chlorophenyl)benzene is sourced from PubChem (CID 142438784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).