1-bromo-4-(4-bromophenyl)-2,3-diiodobenzene

C12H6Br2I2 — CID 175072898

IUPAC1-bromo-4-(4-bromophenyl)-2,3-diiodobenzene
SMILESBrc1ccc(-c2ccc(Br)c(I)c2I)cc1
InChIInChI=1S/C12H6Br2I2/c13-8-3-1-7(2-4-8)9-5-6-10(14)12(16)11(9)15/h1-6H
InChIKeyHBNPGAOPWZBDFM-UHFFFAOYSA-N
MW563.80 g/mol
LogP6.09
Rot. Bonds1

About 1-bromo-4-(4-bromophenyl)-2,3-diiodobenzene

1-bromo-4-(4-bromophenyl)-2,3-diiodobenzene (PubChem CID 175072898) has the molecular formula C12H6Br2I2 and a molecular weight of 563.80 g/mol. Its IUPAC name is 1-bromo-4-(4-bromophenyl)-2,3-diiodobenzene.

Molecular Properties

Compound Name1-bromo-4-(4-bromophenyl)-2,3-diiodobenzene
PubChem CID175072898
Molecular FormulaC12H6Br2I2
Molecular Weight563.80 g/mol
Exact Mass561.69
IUPAC Name1-bromo-4-(4-bromophenyl)-2,3-diiodobenzene
SMILESBrc1ccc(-c2ccc(Br)c(I)c2I)cc1
InChIInChI=1S/C12H6Br2I2/c13-8-3-1-7(2-4-8)9-5-6-10(14)12(16)11(9)15/h1-6H
InChIKeyHBNPGAOPWZBDFM-UHFFFAOYSA-N
XLogP6.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.80
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-bromo-1,2-bis(4-bromophenyl)benzene
CID 54378809
3-bromo-4-(4-bromophenyl)thiophene
CID 173139082
1-bromo-4-[4-[4-(4-bromophenyl)phenyl]phenyl]benzene
CID 59775505
tetrakis(1-bromo-4-(4-bromophenyl)benzene) disulfide
CID 173034951
1-bromo-4-(4-iodophenyl)naphthalene
CID 58161324
1,2,4-tribromo-3-iodobenzene
CID 119023408
2-bromo-3-iodo-1,4-diphenylbenzene
CID 167285519
1-(4-bromophenyl)-4-[4-(4-bromophenyl)-3-methylphenyl]-2-methylbenzene
CID 167027161
4-(4-bromophenyl)-5-iodo-1H-pyrazole
CID 165452201
3-bromo-6-(4-bromophenyl)-2-methylbenzoic acid
CID 142745491
4-(2,5-dibromophenyl)phenol
CID 86165332
1-(4-bromophenyl)-2,3,4-trimethylbenzene
CID 174839809

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(4-bromophenyl)-2,3-diiodobenzene?
The IUPAC name of 1-bromo-4-(4-bromophenyl)-2,3-diiodobenzene (CID 175072898) is 1-bromo-4-(4-bromophenyl)-2,3-diiodobenzene.
What is the SMILES notation for 1-bromo-4-(4-bromophenyl)-2,3-diiodobenzene?
The canonical SMILES for 1-bromo-4-(4-bromophenyl)-2,3-diiodobenzene is Brc1ccc(-c2ccc(Br)c(I)c2I)cc1.
What is the InChIKey of 1-bromo-4-(4-bromophenyl)-2,3-diiodobenzene?
The InChIKey is HBNPGAOPWZBDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Br2I2/c13-8-3-1-7(2-4-8)9-5-6-10(14)12(16)11(9)15/h1-6H.
What are the key properties of 1-bromo-4-(4-bromophenyl)-2,3-diiodobenzene?
1-bromo-4-(4-bromophenyl)-2,3-diiodobenzene has a molecular weight of 563.80 g/mol, XLogP of 6.09, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(4-bromophenyl)-2,3-diiodobenzene is sourced from PubChem (CID 175072898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).