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

C42H32Br2ClF3 — CID 91025842

IUPAC1-bromo-2-[4-[4-[4-[2-bromo-5-(trifluoromethyl)phenyl]-2-methylphenyl]-5-chloro-2-methylphenyl]-2-methylphenyl]-4-methyl-5-(3-methylphenyl)benzene
SMILESCc1cccc(-c2cc(Br)c(-c3ccc(-c4cc(Cl)c(-c5ccc(-c6cc(C(F)(F)F)ccc6Br)cc5C)cc4C)cc3C)cc2C)c1
InChIInChI=1S/C42H32Br2ClF3/c1-23-7-6-8-28(15-23)34-21-40(44)37(18-26(34)4)32-12-9-29(16-24(32)2)35-22-41(45)38(19-27(35)5)33-13-10-30(17-25(33)3)36-20-31(42(46,47)48)11-14-39(36)43/h6-22H,1-5H3
InChIKeyWPKGJCDZQXBEAU-UHFFFAOYSA-N
MW788.97 g/mol
LogP14.76
Rot. Bonds5

About 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

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 (PubChem CID 91025842) has the molecular formula C42H32Br2ClF3 and a molecular weight of 788.97 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-bromo-2-[4-[4-[4-[2-bromo-5-(trifluoromethyl)phenyl]-2-methylphenyl]-5-chloro-2-methylphenyl]-2-methylphenyl]-4-methyl-5-(3-methylphenyl)benzene
PubChem CID91025842
Molecular FormulaC42H32Br2ClF3
Molecular Weight788.97 g/mol
Exact Mass786.05
IUPAC Name1-bromo-2-[4-[4-[4-[2-bromo-5-(trifluoromethyl)phenyl]-2-methylphenyl]-5-chloro-2-methylphenyl]-2-methylphenyl]-4-methyl-5-(3-methylphenyl)benzene
SMILESCc1cccc(-c2cc(Br)c(-c3ccc(-c4cc(Cl)c(-c5ccc(-c6cc(C(F)(F)F)ccc6Br)cc5C)cc4C)cc3C)cc2C)c1
InChIInChI=1S/C42H32Br2ClF3/c1-23-7-6-8-28(15-23)34-21-40(44)37(18-26(34)4)32-12-9-29(16-24(32)2)35-22-41(45)38(19-27(35)5)33-13-10-30(17-25(33)3)36-20-31(42(46,47)48)11-14-39(36)43/h6-22H,1-5H3
InChIKeyWPKGJCDZQXBEAU-UHFFFAOYSA-N
XLogP14.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500788.97
LogP ≤ 514.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cccc(-c2cc(Br)c(-c3ccc(-c4cc(Cl)c(-c5ccc(-c6cc(C(F)(F)F)ccc6Br)cc5C)cc4C)cc3C)cc2C)c1.
What is the InChIKey of 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?
The InChIKey is WPKGJCDZQXBEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H32Br2ClF3/c1-23-7-6-8-28(15-23)34-21-40(44)37(18-26(34)4)32-12-9-29(16-24(32)2)35-22-41(45)38(19-27(35)5)33-13-10-30(17-25(33)3)36-20-31(42(46,47)48)11-14-39(36)43/h6-22H,1-5H3.
What are the key properties of 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?
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 has a molecular weight of 788.97 g/mol, XLogP of 14.76, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 91025842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).