1,3-dibromo-5-tert-butyl-2-(2,6-dibromo-4-tert-butylphenyl)benzene

C20H22Br4 — CID 71349764

IUPAC1,3-dibromo-5-tert-butyl-2-(2,6-dibromo-4-tert-butylphenyl)benzene
SMILESCC(C)(C)c1cc(Br)c(-c2c(Br)cc(C(C)(C)C)cc2Br)c(Br)c1
InChIInChI=1S/C20H22Br4/c1-19(2,3)11-7-13(21)17(14(22)8-11)18-15(23)9-12(10-16(18)24)20(4,5)6/h7-10H,1-6H3
InChIKeyVDOYAZSQMJGOTK-UHFFFAOYSA-N
MW582.01 g/mol
LogP9.00
Rot. Bonds1

About 1,3-dibromo-5-tert-butyl-2-(2,6-dibromo-4-tert-butylphenyl)benzene

1,3-dibromo-5-tert-butyl-2-(2,6-dibromo-4-tert-butylphenyl)benzene (PubChem CID 71349764) has the molecular formula C20H22Br4 and a molecular weight of 582.01 g/mol. Its IUPAC name is 1,3-dibromo-5-tert-butyl-2-(2,6-dibromo-4-tert-butylphenyl)benzene.

Molecular Properties

Compound Name1,3-dibromo-5-tert-butyl-2-(2,6-dibromo-4-tert-butylphenyl)benzene
PubChem CID71349764
Molecular FormulaC20H22Br4
Molecular Weight582.01 g/mol
Exact Mass577.85
IUPAC Name1,3-dibromo-5-tert-butyl-2-(2,6-dibromo-4-tert-butylphenyl)benzene
SMILESCC(C)(C)c1cc(Br)c(-c2c(Br)cc(C(C)(C)C)cc2Br)c(Br)c1
InChIInChI=1S/C20H22Br4/c1-19(2,3)11-7-13(21)17(14(22)8-11)18-15(23)9-12(10-16(18)24)20(4,5)6/h7-10H,1-6H3
InChIKeyVDOYAZSQMJGOTK-UHFFFAOYSA-N
XLogP9.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.01
LogP ≤ 59.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,3-dibromo-5-tert-butyl-2-(2,6-dibromo-4-tert-butylphenyl)benzene?
The IUPAC name of 1,3-dibromo-5-tert-butyl-2-(2,6-dibromo-4-tert-butylphenyl)benzene (CID 71349764) is 1,3-dibromo-5-tert-butyl-2-(2,6-dibromo-4-tert-butylphenyl)benzene.
What is the SMILES notation for 1,3-dibromo-5-tert-butyl-2-(2,6-dibromo-4-tert-butylphenyl)benzene?
The canonical SMILES for 1,3-dibromo-5-tert-butyl-2-(2,6-dibromo-4-tert-butylphenyl)benzene is CC(C)(C)c1cc(Br)c(-c2c(Br)cc(C(C)(C)C)cc2Br)c(Br)c1.
What is the InChIKey of 1,3-dibromo-5-tert-butyl-2-(2,6-dibromo-4-tert-butylphenyl)benzene?
The InChIKey is VDOYAZSQMJGOTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Br4/c1-19(2,3)11-7-13(21)17(14(22)8-11)18-15(23)9-12(10-16(18)24)20(4,5)6/h7-10H,1-6H3.
What are the key properties of 1,3-dibromo-5-tert-butyl-2-(2,6-dibromo-4-tert-butylphenyl)benzene?
1,3-dibromo-5-tert-butyl-2-(2,6-dibromo-4-tert-butylphenyl)benzene has a molecular weight of 582.01 g/mol, XLogP of 9.00, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibromo-5-tert-butyl-2-(2,6-dibromo-4-tert-butylphenyl)benzene is sourced from PubChem (CID 71349764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).