1,2,4-tribromo-3-(3,5-dibromophenyl)benzene

C12H5Br5 — CID 90478885

IUPAC1,2,4-tribromo-3-(3,5-dibromophenyl)benzene
SMILESBrc1cc(Br)cc(-c2c(Br)ccc(Br)c2Br)c1
InChIInChI=1S/C12H5Br5/c13-7-3-6(4-8(14)5-7)11-9(15)1-2-10(16)12(11)17/h1-5H
InChIKeyUMFKUWYQACGSMQ-UHFFFAOYSA-N
MW548.69 g/mol
LogP7.17
Rot. Bonds1

About 1,2,4-tribromo-3-(3,5-dibromophenyl)benzene

1,2,4-tribromo-3-(3,5-dibromophenyl)benzene (PubChem CID 90478885) has the molecular formula C12H5Br5 and a molecular weight of 548.69 g/mol. Its IUPAC name is 1,2,4-tribromo-3-(3,5-dibromophenyl)benzene.

Molecular Properties

Compound Name1,2,4-tribromo-3-(3,5-dibromophenyl)benzene
PubChem CID90478885
Molecular FormulaC12H5Br5
Molecular Weight548.69 g/mol
Exact Mass543.63
IUPAC Name1,2,4-tribromo-3-(3,5-dibromophenyl)benzene
SMILESBrc1cc(Br)cc(-c2c(Br)ccc(Br)c2Br)c1
InChIInChI=1S/C12H5Br5/c13-7-3-6(4-8(14)5-7)11-9(15)1-2-10(16)12(11)17/h1-5H
InChIKeyUMFKUWYQACGSMQ-UHFFFAOYSA-N
XLogP7.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.69
LogP ≤ 57.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1,3-dibromo-2-(3,5-dibromophenyl)benzene
CID 90479586
1,2,3,4,5-pentabromo-6-(3,5-dibromophenyl)benzene
CID 90478698
3-bromobicyclo[3.1.0]hexa-1(6),2,4-triene
CID 19746447
1,2,4-tribromo-3-(2,3-dibromophenyl)benzene
CID 90479445
1,2-dibromo-4-(2,6-dibromophenyl)benzene
CID 90479486
1,3-dibromo-5-phenylbenzene
CID 3014933
1,3-dibromo-5-[2,6-di(propan-2-yl)phenyl]benzene
CID 126608080
1-bromo-3-(4-bromophenyl)-5-chlorobenzene
CID 134275306
1,2,6,8-tetrabromonaphthalene
CID 135202272
[3-bromo-5-(2,6-dimethylphenyl)phenyl]methanamine;hydrochloride
CID 166643067
2-(3,5-dibromophenyl)-1H-pyrrole
CID 14431153
[4-(3,5-dibromophenyl)phenyl]methanol
CID 56604636

Frequently Asked Questions

What is the IUPAC name of 1,2,4-tribromo-3-(3,5-dibromophenyl)benzene?
The IUPAC name of 1,2,4-tribromo-3-(3,5-dibromophenyl)benzene (CID 90478885) is 1,2,4-tribromo-3-(3,5-dibromophenyl)benzene.
What is the SMILES notation for 1,2,4-tribromo-3-(3,5-dibromophenyl)benzene?
The canonical SMILES for 1,2,4-tribromo-3-(3,5-dibromophenyl)benzene is Brc1cc(Br)cc(-c2c(Br)ccc(Br)c2Br)c1.
What is the InChIKey of 1,2,4-tribromo-3-(3,5-dibromophenyl)benzene?
The InChIKey is UMFKUWYQACGSMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5Br5/c13-7-3-6(4-8(14)5-7)11-9(15)1-2-10(16)12(11)17/h1-5H.
What are the key properties of 1,2,4-tribromo-3-(3,5-dibromophenyl)benzene?
1,2,4-tribromo-3-(3,5-dibromophenyl)benzene has a molecular weight of 548.69 g/mol, XLogP of 7.17, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-tribromo-3-(3,5-dibromophenyl)benzene is sourced from PubChem (CID 90478885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).