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

C32H24Br2O — CID 11467371

IUPAC1,3-bis(2-bromophenyl)-2-(4-methoxyphenyl)-5-(4-methylphenyl)benzene
SMILESCOc1ccc(-c2c(-c3ccccc3Br)cc(-c3ccc(C)cc3)cc2-c2ccccc2Br)cc1
InChIInChI=1S/C32H24Br2O/c1-21-11-13-22(14-12-21)24-19-28(26-7-3-5-9-30(26)33)32(23-15-17-25(35-2)18-16-23)29(20-24)27-8-4-6-10-31(27)34/h3-20H,1-2H3
InChIKeyUAIMUBQFXLGFRR-UHFFFAOYSA-N
MW584.35 g/mol
LogP10.20
Rot. Bonds5

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

1,3-bis(2-bromophenyl)-2-(4-methoxyphenyl)-5-(4-methylphenyl)benzene (PubChem CID 11467371) has the molecular formula C32H24Br2O and a molecular weight of 584.35 g/mol. Its IUPAC name is 1,3-bis(2-bromophenyl)-2-(4-methoxyphenyl)-5-(4-methylphenyl)benzene.

Molecular Properties

Compound Name1,3-bis(2-bromophenyl)-2-(4-methoxyphenyl)-5-(4-methylphenyl)benzene
PubChem CID11467371
Molecular FormulaC32H24Br2O
Molecular Weight584.35 g/mol
Exact Mass582.02
IUPAC Name1,3-bis(2-bromophenyl)-2-(4-methoxyphenyl)-5-(4-methylphenyl)benzene
SMILESCOc1ccc(-c2c(-c3ccccc3Br)cc(-c3ccc(C)cc3)cc2-c2ccccc2Br)cc1
InChIInChI=1S/C32H24Br2O/c1-21-11-13-22(14-12-21)24-19-28(26-7-3-5-9-30(26)33)32(23-15-17-25(35-2)18-16-23)29(20-24)27-8-4-6-10-31(27)34/h3-20H,1-2H3
InChIKeyUAIMUBQFXLGFRR-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

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

Related Compounds

9,10-Di-p-anisylanthracene
CID 374567
2-Methoxy-6-[3-methoxy-5-(6-methoxy-2-naphthyl)phenyl]naphthalene
CID 59443492
6-Methoxy-1,2,3,4-tetraphenylnaphthalene
CID 3489756
7-Bromo-1-(7-bromo-2-methoxynaphthalen-1-yl)-2-methoxynaphthalene
CID 10743041
1-(4-Methoxyphenyl)pyrene
CID 10902911
9-(4-Methoxyphenyl)anthracene
CID 14594752
Hexakis(4-methoxyphenyl)benzene
CID 15766197
2-Bromo-4'-methoxy-1,1'-biphenyl
CID 15864791
9-(4-(2-Bromoethoxy)phenyl)-10-(4-methoxyphenyl)anthracene
CID 378370
3'-(4-(tert-Butyl)phenyl)-4'-(4-methoxyphenyl)-3,3'',5,5''-tetramethyl-5'-phenyl-6'-(4-(trifluoromethyl)phenyl)-1,1':2',1''-terphenyl
CID 86341894
5,12-Bis(4-fluorophenyl)-6-(4-methoxyphenyl)-11-phenyltetracene
CID 102311456
9-Bromo-10-(2,6-difluoro-4-methoxyphenyl)phenanthrene
CID 154709387

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2-bromophenyl)-2-(4-methoxyphenyl)-5-(4-methylphenyl)benzene?
The IUPAC name of 1,3-bis(2-bromophenyl)-2-(4-methoxyphenyl)-5-(4-methylphenyl)benzene (CID 11467371) is 1,3-bis(2-bromophenyl)-2-(4-methoxyphenyl)-5-(4-methylphenyl)benzene.
What is the SMILES notation for 1,3-bis(2-bromophenyl)-2-(4-methoxyphenyl)-5-(4-methylphenyl)benzene?
The canonical SMILES for 1,3-bis(2-bromophenyl)-2-(4-methoxyphenyl)-5-(4-methylphenyl)benzene is COc1ccc(-c2c(-c3ccccc3Br)cc(-c3ccc(C)cc3)cc2-c2ccccc2Br)cc1.
What is the InChIKey of 1,3-bis(2-bromophenyl)-2-(4-methoxyphenyl)-5-(4-methylphenyl)benzene?
The InChIKey is UAIMUBQFXLGFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24Br2O/c1-21-11-13-22(14-12-21)24-19-28(26-7-3-5-9-30(26)33)32(23-15-17-25(35-2)18-16-23)29(20-24)27-8-4-6-10-31(27)34/h3-20H,1-2H3.
What are the key properties of 1,3-bis(2-bromophenyl)-2-(4-methoxyphenyl)-5-(4-methylphenyl)benzene?
1,3-bis(2-bromophenyl)-2-(4-methoxyphenyl)-5-(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)-2-(4-methoxyphenyl)-5-(4-methylphenyl)benzene is sourced from PubChem (CID 11467371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).