1-bromo-2-[2-(2-iodophenyl)phenyl]benzene

C18H12BrI — CID 172548371

IUPAC1-bromo-2-[2-(2-iodophenyl)phenyl]benzene
SMILESBrc1ccccc1-c1ccccc1-c1ccccc1I
InChIInChI=1S/C18H12BrI/c19-17-11-5-3-9-15(17)13-7-1-2-8-14(13)16-10-4-6-12-18(16)20/h1-12H
InChIKeyVNQSFNQJSSJJEY-UHFFFAOYSA-N
MW435.10 g/mol
LogP6.39
Rot. Bonds2

About 1-bromo-2-[2-(2-iodophenyl)phenyl]benzene

1-bromo-2-[2-(2-iodophenyl)phenyl]benzene (PubChem CID 172548371) has the molecular formula C18H12BrI and a molecular weight of 435.10 g/mol. Its IUPAC name is 1-bromo-2-[2-(2-iodophenyl)phenyl]benzene.

Molecular Properties

Compound Name1-bromo-2-[2-(2-iodophenyl)phenyl]benzene
PubChem CID172548371
Molecular FormulaC18H12BrI
Molecular Weight435.10 g/mol
Exact Mass433.92
IUPAC Name1-bromo-2-[2-(2-iodophenyl)phenyl]benzene
SMILESBrc1ccccc1-c1ccccc1-c1ccccc1I
InChIInChI=1S/C18H12BrI/c19-17-11-5-3-9-15(17)13-7-1-2-8-14(13)16-10-4-6-12-18(16)20/h1-12H
InChIKeyVNQSFNQJSSJJEY-UHFFFAOYSA-N
XLogP6.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.10
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-[2-(2-iodophenyl)phenyl]benzene?
The IUPAC name of 1-bromo-2-[2-(2-iodophenyl)phenyl]benzene (CID 172548371) is 1-bromo-2-[2-(2-iodophenyl)phenyl]benzene.
What is the SMILES notation for 1-bromo-2-[2-(2-iodophenyl)phenyl]benzene?
The canonical SMILES for 1-bromo-2-[2-(2-iodophenyl)phenyl]benzene is Brc1ccccc1-c1ccccc1-c1ccccc1I.
What is the InChIKey of 1-bromo-2-[2-(2-iodophenyl)phenyl]benzene?
The InChIKey is VNQSFNQJSSJJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrI/c19-17-11-5-3-9-15(17)13-7-1-2-8-14(13)16-10-4-6-12-18(16)20/h1-12H.
What are the key properties of 1-bromo-2-[2-(2-iodophenyl)phenyl]benzene?
1-bromo-2-[2-(2-iodophenyl)phenyl]benzene has a molecular weight of 435.10 g/mol, XLogP of 6.39, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-[2-(2-iodophenyl)phenyl]benzene is sourced from PubChem (CID 172548371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).