1,3-bis(2-bromophenyl)-5-(4-methoxyphenyl)-2-(4-methylphenyl)benzene

C32H24Br2O — CID 101257502

IUPAC1,3-bis(2-bromophenyl)-5-(4-methoxyphenyl)-2-(4-methylphenyl)benzene
SMILESCOc1ccc(-c2cc(-c3ccccc3Br)c(-c3ccc(C)cc3)c(-c3ccccc3Br)c2)cc1
InChIInChI=1S/C32H24Br2O/c1-21-11-13-23(14-12-21)32-28(26-7-3-5-9-30(26)33)19-24(22-15-17-25(35-2)18-16-22)20-29(32)27-8-4-6-10-31(27)34/h3-20H,1-2H3
InChIKeyJHHAMFVSOPSDHJ-UHFFFAOYSA-N
MW584.35 g/mol
LogP10.20
Rot. Bonds5

About 1,3-bis(2-bromophenyl)-5-(4-methoxyphenyl)-2-(4-methylphenyl)benzene

1,3-bis(2-bromophenyl)-5-(4-methoxyphenyl)-2-(4-methylphenyl)benzene (PubChem CID 101257502) has the molecular formula C32H24Br2O and a molecular weight of 584.35 g/mol. Its IUPAC name is 1,3-bis(2-bromophenyl)-5-(4-methoxyphenyl)-2-(4-methylphenyl)benzene.

Molecular Properties

Compound Name1,3-bis(2-bromophenyl)-5-(4-methoxyphenyl)-2-(4-methylphenyl)benzene
PubChem CID101257502
Molecular FormulaC32H24Br2O
Molecular Weight584.35 g/mol
Exact Mass582.02
IUPAC Name1,3-bis(2-bromophenyl)-5-(4-methoxyphenyl)-2-(4-methylphenyl)benzene
SMILESCOc1ccc(-c2cc(-c3ccccc3Br)c(-c3ccc(C)cc3)c(-c3ccccc3Br)c2)cc1
InChIInChI=1S/C32H24Br2O/c1-21-11-13-23(14-12-21)32-28(26-7-3-5-9-30(26)33)19-24(22-15-17-25(35-2)18-16-22)20-29(32)27-8-4-6-10-31(27)34/h3-20H,1-2H3
InChIKeyJHHAMFVSOPSDHJ-UHFFFAOYSA-N
XLogP10.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.35
LogP ≤ 510.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(4-methoxyphenyl)-2-(2-methylphenyl)-5-(4-methylphenyl)-3-phenylthiophene
CID 54577902
methane;1-methoxy-4-methylbenzene;1-methyl-4-phenylbenzene
CID 160612603
1,3-difluoro-5-(4-methoxyphenyl)-2-(4-methylphenyl)benzene
CID 121356402
methane;1-methoxy-4-(4-methylphenyl)benzene
CID 159881054
1-(2-bromophenyl)-2-methoxy-4-methylbenzene
CID 171366737
1-[4-(4-methoxyphenyl)phenyl]-3,5-diphenylbenzene
CID 176774050
1-bromo-2-(4-methylphenyl)benzene;ethane
CID 144848259
1-[4-(4-methoxyphenyl)phenyl]-2,4,6-triphenyl-3,5-bis(4-phenylphenyl)benzene
CID 138981847
2-(4-methoxyphenyl)-1,4-diphenylbenzene
CID 132547745
1-(4-methoxyphenyl)-5-(4-methylphenyl)naphthalene
CID 142669243
1-(113C)methoxy-4-methylbenzene
CID 166176950
1-bromo-4-(4-methylphenyl)-2-phenylbenzene
CID 70958469

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2-bromophenyl)-5-(4-methoxyphenyl)-2-(4-methylphenyl)benzene?
The IUPAC name of 1,3-bis(2-bromophenyl)-5-(4-methoxyphenyl)-2-(4-methylphenyl)benzene (CID 101257502) is 1,3-bis(2-bromophenyl)-5-(4-methoxyphenyl)-2-(4-methylphenyl)benzene.
What is the SMILES notation for 1,3-bis(2-bromophenyl)-5-(4-methoxyphenyl)-2-(4-methylphenyl)benzene?
The canonical SMILES for 1,3-bis(2-bromophenyl)-5-(4-methoxyphenyl)-2-(4-methylphenyl)benzene is COc1ccc(-c2cc(-c3ccccc3Br)c(-c3ccc(C)cc3)c(-c3ccccc3Br)c2)cc1.
What is the InChIKey of 1,3-bis(2-bromophenyl)-5-(4-methoxyphenyl)-2-(4-methylphenyl)benzene?
The InChIKey is JHHAMFVSOPSDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24Br2O/c1-21-11-13-23(14-12-21)32-28(26-7-3-5-9-30(26)33)19-24(22-15-17-25(35-2)18-16-22)20-29(32)27-8-4-6-10-31(27)34/h3-20H,1-2H3.
What are the key properties of 1,3-bis(2-bromophenyl)-5-(4-methoxyphenyl)-2-(4-methylphenyl)benzene?
1,3-bis(2-bromophenyl)-5-(4-methoxyphenyl)-2-(4-methylphenyl)benzene has a molecular weight of 584.35 g/mol, XLogP of 10.20, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2-bromophenyl)-5-(4-methoxyphenyl)-2-(4-methylphenyl)benzene is sourced from PubChem (CID 101257502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).