1-(2-bromo-4-tert-butylphenyl)-3-(2-bromophenyl)-5-(2-methylphenyl)benzene

C29H26Br2 — CID 139352170

IUPAC1-(2-bromo-4-tert-butylphenyl)-3-(2-bromophenyl)-5-(2-methylphenyl)benzene
SMILESCc1ccccc1-c1cc(-c2ccccc2Br)cc(-c2ccc(C(C)(C)C)cc2Br)c1
InChIInChI=1S/C29H26Br2/c1-19-9-5-6-10-24(19)20-15-21(25-11-7-8-12-27(25)30)17-22(16-20)26-14-13-23(18-28(26)31)29(2,3)4/h5-18H,1-4H3
InChIKeyXEBZDNKHWGRUEL-UHFFFAOYSA-N
MW534.34 g/mol
LogP9.82
Rot. Bonds3

About 1-(2-bromo-4-tert-butylphenyl)-3-(2-bromophenyl)-5-(2-methylphenyl)benzene

1-(2-bromo-4-tert-butylphenyl)-3-(2-bromophenyl)-5-(2-methylphenyl)benzene (PubChem CID 139352170) has the molecular formula C29H26Br2 and a molecular weight of 534.34 g/mol. Its IUPAC name is 1-(2-bromo-4-tert-butylphenyl)-3-(2-bromophenyl)-5-(2-methylphenyl)benzene.

Molecular Properties

Compound Name1-(2-bromo-4-tert-butylphenyl)-3-(2-bromophenyl)-5-(2-methylphenyl)benzene
PubChem CID139352170
Molecular FormulaC29H26Br2
Molecular Weight534.34 g/mol
Exact Mass532.04
IUPAC Name1-(2-bromo-4-tert-butylphenyl)-3-(2-bromophenyl)-5-(2-methylphenyl)benzene
SMILESCc1ccccc1-c1cc(-c2ccccc2Br)cc(-c2ccc(C(C)(C)C)cc2Br)c1
InChIInChI=1S/C29H26Br2/c1-19-9-5-6-10-24(19)20-15-21(25-11-7-8-12-27(25)30)17-22(16-20)26-14-13-23(18-28(26)31)29(2,3)4/h5-18H,1-4H3
InChIKeyXEBZDNKHWGRUEL-UHFFFAOYSA-N
XLogP9.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.34
LogP ≤ 59.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[3,5-bis(2-bromophenyl)phenyl]-2-bromo-4-tert-butylbenzene
CID 134191319
2-bromo-4-tert-butyl-1-(4-methylphenyl)benzene
CID 164892740
ethane;1,3,5-tris(2-methylphenyl)benzene
CID 157145659
5-(2-bromophenyl)-2-fluoro-1,3-dimethylbenzene
CID 54136106
2,10-ditert-butyltetraphenylene
CID 159208403
1-(2-methylphenyl)-3,5-bis(3-tritylphenyl)benzene
CID 171724234
2-[4-[2-[3,5-bis[2-[2-bromo-4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]phenyl]phenyl]-3-bromophenyl]-4-methyl-5-phenylpyridine
CID 140838831
1,3-dimethyl-5-(2-methylphenyl)benzene
CID 12639839
4-tert-butyl-1,2-diphenylbenzene;sulfane
CID 174786417
5-tert-butyl-2-(2-methylphenyl)-1H-indole
CID 131887127
N-tert-butyl-N-(4-tert-butylphenyl)-3-methyl-4-(2-methylphenyl)aniline
CID 162698304
4-(2-bromophenyl)-2-methylaniline
CID 115503558

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-tert-butylphenyl)-3-(2-bromophenyl)-5-(2-methylphenyl)benzene?
The IUPAC name of 1-(2-bromo-4-tert-butylphenyl)-3-(2-bromophenyl)-5-(2-methylphenyl)benzene (CID 139352170) is 1-(2-bromo-4-tert-butylphenyl)-3-(2-bromophenyl)-5-(2-methylphenyl)benzene.
What is the SMILES notation for 1-(2-bromo-4-tert-butylphenyl)-3-(2-bromophenyl)-5-(2-methylphenyl)benzene?
The canonical SMILES for 1-(2-bromo-4-tert-butylphenyl)-3-(2-bromophenyl)-5-(2-methylphenyl)benzene is Cc1ccccc1-c1cc(-c2ccccc2Br)cc(-c2ccc(C(C)(C)C)cc2Br)c1.
What is the InChIKey of 1-(2-bromo-4-tert-butylphenyl)-3-(2-bromophenyl)-5-(2-methylphenyl)benzene?
The InChIKey is XEBZDNKHWGRUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26Br2/c1-19-9-5-6-10-24(19)20-15-21(25-11-7-8-12-27(25)30)17-22(16-20)26-14-13-23(18-28(26)31)29(2,3)4/h5-18H,1-4H3.
What are the key properties of 1-(2-bromo-4-tert-butylphenyl)-3-(2-bromophenyl)-5-(2-methylphenyl)benzene?
1-(2-bromo-4-tert-butylphenyl)-3-(2-bromophenyl)-5-(2-methylphenyl)benzene has a molecular weight of 534.34 g/mol, XLogP of 9.82, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-tert-butylphenyl)-3-(2-bromophenyl)-5-(2-methylphenyl)benzene is sourced from PubChem (CID 139352170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).