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

C32H23BrClF — CID 123575584

IUPAC1-(3-bromophenyl)-2-(4-chlorophenyl)-3-(2-fluorophenyl)-4-methyl-5-(4-methylphenyl)benzene
SMILESCc1ccc(-c2cc(-c3cccc(Br)c3)c(-c3ccc(Cl)cc3)c(-c3ccccc3F)c2C)cc1
InChIInChI=1S/C32H23BrClF/c1-20-10-12-22(13-11-20)28-19-29(24-6-5-7-25(33)18-24)32(23-14-16-26(34)17-15-23)31(21(28)2)27-8-3-4-9-30(27)35/h3-19H,1-2H3
InChIKeySVWOHLQOVZMVBB-UHFFFAOYSA-N
MW541.89 g/mol
LogP10.53
Rot. Bonds4

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

1-(3-bromophenyl)-2-(4-chlorophenyl)-3-(2-fluorophenyl)-4-methyl-5-(4-methylphenyl)benzene (PubChem CID 123575584) has the molecular formula C32H23BrClF and a molecular weight of 541.89 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-(4-chlorophenyl)-3-(2-fluorophenyl)-4-methyl-5-(4-methylphenyl)benzene.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-(4-chlorophenyl)-3-(2-fluorophenyl)-4-methyl-5-(4-methylphenyl)benzene
PubChem CID123575584
Molecular FormulaC32H23BrClF
Molecular Weight541.89 g/mol
Exact Mass540.07
IUPAC Name1-(3-bromophenyl)-2-(4-chlorophenyl)-3-(2-fluorophenyl)-4-methyl-5-(4-methylphenyl)benzene
SMILESCc1ccc(-c2cc(-c3cccc(Br)c3)c(-c3ccc(Cl)cc3)c(-c3ccccc3F)c2C)cc1
InChIInChI=1S/C32H23BrClF/c1-20-10-12-22(13-11-20)28-19-29(24-6-5-7-25(33)18-24)32(23-14-16-26(34)17-15-23)31(21(28)2)27-8-3-4-9-30(27)35/h3-19H,1-2H3
InChIKeySVWOHLQOVZMVBB-UHFFFAOYSA-N
XLogP10.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.89
LogP ≤ 510.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-(4-chlorophenyl)-3-(2-fluorophenyl)-4-methyl-5-(4-methylphenyl)benzene?
The IUPAC name of 1-(3-bromophenyl)-2-(4-chlorophenyl)-3-(2-fluorophenyl)-4-methyl-5-(4-methylphenyl)benzene (CID 123575584) is 1-(3-bromophenyl)-2-(4-chlorophenyl)-3-(2-fluorophenyl)-4-methyl-5-(4-methylphenyl)benzene.
What is the SMILES notation for 1-(3-bromophenyl)-2-(4-chlorophenyl)-3-(2-fluorophenyl)-4-methyl-5-(4-methylphenyl)benzene?
The canonical SMILES for 1-(3-bromophenyl)-2-(4-chlorophenyl)-3-(2-fluorophenyl)-4-methyl-5-(4-methylphenyl)benzene is Cc1ccc(-c2cc(-c3cccc(Br)c3)c(-c3ccc(Cl)cc3)c(-c3ccccc3F)c2C)cc1.
What is the InChIKey of 1-(3-bromophenyl)-2-(4-chlorophenyl)-3-(2-fluorophenyl)-4-methyl-5-(4-methylphenyl)benzene?
The InChIKey is SVWOHLQOVZMVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H23BrClF/c1-20-10-12-22(13-11-20)28-19-29(24-6-5-7-25(33)18-24)32(23-14-16-26(34)17-15-23)31(21(28)2)27-8-3-4-9-30(27)35/h3-19H,1-2H3.
What are the key properties of 1-(3-bromophenyl)-2-(4-chlorophenyl)-3-(2-fluorophenyl)-4-methyl-5-(4-methylphenyl)benzene?
1-(3-bromophenyl)-2-(4-chlorophenyl)-3-(2-fluorophenyl)-4-methyl-5-(4-methylphenyl)benzene has a molecular weight of 541.89 g/mol, XLogP of 10.53, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-2-(4-chlorophenyl)-3-(2-fluorophenyl)-4-methyl-5-(4-methylphenyl)benzene is sourced from PubChem (CID 123575584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).