2-bromo-1-(2-bromo-4-tert-butylphenyl)-4-tert-butylbenzene

C20H24Br2 — CID 12541265

IUPAC2-bromo-1-(2-bromo-4-tert-butylphenyl)-4-tert-butylbenzene
SMILESCC(C)(C)c1ccc(-c2ccc(C(C)(C)C)cc2Br)c(Br)c1
InChIInChI=1S/C20H24Br2/c1-19(2,3)13-7-9-15(17(21)11-13)16-10-8-14(12-18(16)22)20(4,5)6/h7-12H,1-6H3
InChIKeyGOLHJMJCRFQWNY-UHFFFAOYSA-N
MW424.22 g/mol
LogP7.47
Rot. Bonds1

About 2-bromo-1-(2-bromo-4-tert-butylphenyl)-4-tert-butylbenzene

2-bromo-1-(2-bromo-4-tert-butylphenyl)-4-tert-butylbenzene (PubChem CID 12541265) has the molecular formula C20H24Br2 and a molecular weight of 424.22 g/mol. Its IUPAC name is 2-bromo-1-(2-bromo-4-tert-butylphenyl)-4-tert-butylbenzene.

Molecular Properties

Compound Name2-bromo-1-(2-bromo-4-tert-butylphenyl)-4-tert-butylbenzene
PubChem CID12541265
Molecular FormulaC20H24Br2
Molecular Weight424.22 g/mol
Exact Mass422.02
IUPAC Name2-bromo-1-(2-bromo-4-tert-butylphenyl)-4-tert-butylbenzene
SMILESCC(C)(C)c1ccc(-c2ccc(C(C)(C)C)cc2Br)c(Br)c1
InChIInChI=1S/C20H24Br2/c1-19(2,3)13-7-9-15(17(21)11-13)16-10-8-14(12-18(16)22)20(4,5)6/h7-12H,1-6H3
InChIKeyGOLHJMJCRFQWNY-UHFFFAOYSA-N
XLogP7.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.22
LogP ≤ 57.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(2-bromo-4-tert-butylphenyl)-4-tert-butylbenzene?
The IUPAC name of 2-bromo-1-(2-bromo-4-tert-butylphenyl)-4-tert-butylbenzene (CID 12541265) is 2-bromo-1-(2-bromo-4-tert-butylphenyl)-4-tert-butylbenzene.
What is the SMILES notation for 2-bromo-1-(2-bromo-4-tert-butylphenyl)-4-tert-butylbenzene?
The canonical SMILES for 2-bromo-1-(2-bromo-4-tert-butylphenyl)-4-tert-butylbenzene is CC(C)(C)c1ccc(-c2ccc(C(C)(C)C)cc2Br)c(Br)c1.
What is the InChIKey of 2-bromo-1-(2-bromo-4-tert-butylphenyl)-4-tert-butylbenzene?
The InChIKey is GOLHJMJCRFQWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24Br2/c1-19(2,3)13-7-9-15(17(21)11-13)16-10-8-14(12-18(16)22)20(4,5)6/h7-12H,1-6H3.
What are the key properties of 2-bromo-1-(2-bromo-4-tert-butylphenyl)-4-tert-butylbenzene?
2-bromo-1-(2-bromo-4-tert-butylphenyl)-4-tert-butylbenzene has a molecular weight of 424.22 g/mol, XLogP of 7.47, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(2-bromo-4-tert-butylphenyl)-4-tert-butylbenzene is sourced from PubChem (CID 12541265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).