2-(5-bromo-2-methylphenyl)-1-methyl-4-(2-phenylphenyl)benzene

C26H21Br — CID 154595887

IUPAC2-(5-bromo-2-methylphenyl)-1-methyl-4-(2-phenylphenyl)benzene
SMILESCc1ccc(Br)cc1-c1cc(-c2ccccc2-c2ccccc2)ccc1C
InChIInChI=1S/C26H21Br/c1-18-12-14-21(16-25(18)26-17-22(27)15-13-19(26)2)24-11-7-6-10-23(24)20-8-4-3-5-9-20/h3-17H,1-2H3
InChIKeyZETGQSHYJUYVTD-UHFFFAOYSA-N
MW413.36 g/mol
LogP8.07
Rot. Bonds3

About 2-(5-bromo-2-methylphenyl)-1-methyl-4-(2-phenylphenyl)benzene

2-(5-bromo-2-methylphenyl)-1-methyl-4-(2-phenylphenyl)benzene (PubChem CID 154595887) has the molecular formula C26H21Br and a molecular weight of 413.36 g/mol. Its IUPAC name is 2-(5-bromo-2-methylphenyl)-1-methyl-4-(2-phenylphenyl)benzene.

Molecular Properties

Compound Name2-(5-bromo-2-methylphenyl)-1-methyl-4-(2-phenylphenyl)benzene
PubChem CID154595887
Molecular FormulaC26H21Br
Molecular Weight413.36 g/mol
Exact Mass412.08
IUPAC Name2-(5-bromo-2-methylphenyl)-1-methyl-4-(2-phenylphenyl)benzene
SMILESCc1ccc(Br)cc1-c1cc(-c2ccccc2-c2ccccc2)ccc1C
InChIInChI=1S/C26H21Br/c1-18-12-14-21(16-25(18)26-17-22(27)15-13-19(26)2)24-11-7-6-10-23(24)20-8-4-3-5-9-20/h3-17H,1-2H3
InChIKeyZETGQSHYJUYVTD-UHFFFAOYSA-N
XLogP8.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.36
LogP ≤ 58.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methylphenyl)-1-methyl-4-(2-phenylphenyl)benzene?
The IUPAC name of 2-(5-bromo-2-methylphenyl)-1-methyl-4-(2-phenylphenyl)benzene (CID 154595887) is 2-(5-bromo-2-methylphenyl)-1-methyl-4-(2-phenylphenyl)benzene.
What is the SMILES notation for 2-(5-bromo-2-methylphenyl)-1-methyl-4-(2-phenylphenyl)benzene?
The canonical SMILES for 2-(5-bromo-2-methylphenyl)-1-methyl-4-(2-phenylphenyl)benzene is Cc1ccc(Br)cc1-c1cc(-c2ccccc2-c2ccccc2)ccc1C.
What is the InChIKey of 2-(5-bromo-2-methylphenyl)-1-methyl-4-(2-phenylphenyl)benzene?
The InChIKey is ZETGQSHYJUYVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21Br/c1-18-12-14-21(16-25(18)26-17-22(27)15-13-19(26)2)24-11-7-6-10-23(24)20-8-4-3-5-9-20/h3-17H,1-2H3.
What are the key properties of 2-(5-bromo-2-methylphenyl)-1-methyl-4-(2-phenylphenyl)benzene?
2-(5-bromo-2-methylphenyl)-1-methyl-4-(2-phenylphenyl)benzene has a molecular weight of 413.36 g/mol, XLogP of 8.07, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methylphenyl)-1-methyl-4-(2-phenylphenyl)benzene is sourced from PubChem (CID 154595887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).