1,4-dibromo-2-(2,5-dibromophenyl)benzene

C12H6Br4 — CID 591322

IUPAC1,4-dibromo-2-(2,5-dibromophenyl)benzene
SMILESBrc1ccc(Br)c(-c2cc(Br)ccc2Br)c1
InChIInChI=1S/C12H6Br4/c13-7-1-3-11(15)9(5-7)10-6-8(14)2-4-12(10)16/h1-6H
InChIKeyXEFMFJLRXHQLEM-UHFFFAOYSA-N
MW469.80 g/mol
LogP6.40
Rot. Bonds1

About 1,4-dibromo-2-(2,5-dibromophenyl)benzene

1,4-dibromo-2-(2,5-dibromophenyl)benzene (PubChem CID 591322) has the molecular formula C12H6Br4 and a molecular weight of 469.80 g/mol. Its IUPAC name is 1,4-dibromo-2-(2,5-dibromophenyl)benzene.

Molecular Properties

Compound Name1,4-dibromo-2-(2,5-dibromophenyl)benzene
PubChem CID591322
Molecular FormulaC12H6Br4
Molecular Weight469.80 g/mol
Exact Mass465.72
IUPAC Name1,4-dibromo-2-(2,5-dibromophenyl)benzene
SMILESBrc1ccc(Br)c(-c2cc(Br)ccc2Br)c1
InChIInChI=1S/C12H6Br4/c13-7-1-3-11(15)9(5-7)10-6-8(14)2-4-12(10)16/h1-6H
InChIKeyXEFMFJLRXHQLEM-UHFFFAOYSA-N
XLogP6.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.80
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Pbb 169
CID 104942
2,3,3',4,4',5'-Hexabromobiphenyl
CID 158629
Pbb 153
CID 42948
4-Bromobiphenyl
CID 7101
3-Bromobiphenyl
CID 16449
Pbb 77
CID 107953
4,4'-Dibromobiphenyl
CID 7110
2,2'-Dibromobiphenyl
CID 83060
3,5-Dibromobiphenyl
CID 3014933
2,2',3,3',4,4',5,6,6'-Nonabromobiphenyl
CID 34004
2,2',4,4',6,6'-Hexabromobiphenyl
CID 93322
2,2',4,5,5'-Pentabromobiphenyl
CID 49996

Frequently Asked Questions

What is the IUPAC name of 1,4-dibromo-2-(2,5-dibromophenyl)benzene?
The IUPAC name of 1,4-dibromo-2-(2,5-dibromophenyl)benzene (CID 591322) is 1,4-dibromo-2-(2,5-dibromophenyl)benzene.
What is the SMILES notation for 1,4-dibromo-2-(2,5-dibromophenyl)benzene?
The canonical SMILES for 1,4-dibromo-2-(2,5-dibromophenyl)benzene is Brc1ccc(Br)c(-c2cc(Br)ccc2Br)c1.
What is the InChIKey of 1,4-dibromo-2-(2,5-dibromophenyl)benzene?
The InChIKey is XEFMFJLRXHQLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Br4/c13-7-1-3-11(15)9(5-7)10-6-8(14)2-4-12(10)16/h1-6H.
What are the key properties of 1,4-dibromo-2-(2,5-dibromophenyl)benzene?
1,4-dibromo-2-(2,5-dibromophenyl)benzene has a molecular weight of 469.80 g/mol, XLogP of 6.40, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dibromo-2-(2,5-dibromophenyl)benzene is sourced from PubChem (CID 591322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).