2-bromo-3-iodo-1,4-diphenylbenzene

C18H12BrI — CID 167285519

IUPAC2-bromo-3-iodo-1,4-diphenylbenzene
SMILESBrc1c(-c2ccccc2)ccc(-c2ccccc2)c1I
InChIInChI=1S/C18H12BrI/c19-17-15(13-7-3-1-4-8-13)11-12-16(18(17)20)14-9-5-2-6-10-14/h1-12H
InChIKeyJWIRVWHYBFBRLZ-UHFFFAOYSA-N
MW435.10 g/mol
LogP6.39
Rot. Bonds2

About 2-bromo-3-iodo-1,4-diphenylbenzene

2-bromo-3-iodo-1,4-diphenylbenzene (PubChem CID 167285519) has the molecular formula C18H12BrI and a molecular weight of 435.10 g/mol. Its IUPAC name is 2-bromo-3-iodo-1,4-diphenylbenzene.

Molecular Properties

Compound Name2-bromo-3-iodo-1,4-diphenylbenzene
PubChem CID167285519
Molecular FormulaC18H12BrI
Molecular Weight435.10 g/mol
Exact Mass433.92
IUPAC Name2-bromo-3-iodo-1,4-diphenylbenzene
SMILESBrc1c(-c2ccccc2)ccc(-c2ccccc2)c1I
InChIInChI=1S/C18H12BrI/c19-17-15(13-7-3-1-4-8-13)11-12-16(18(17)20)14-9-5-2-6-10-14/h1-12H
InChIKeyJWIRVWHYBFBRLZ-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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Related Compounds

1-bromo-2-phenylnaphthalene
CID 10956972
2-bromo-1-iodo-3,5-diphenylbenzene
CID 167285522
1-iodo-2-(4-phenylphenyl)benzene
CID 12595491
2,5-dibromo-1,3-diphenylbenzene
CID 142746562
1,2-ditert-butyl-3-iodo-4-phenylbenzene
CID 122537988
1,4,5,8-tetrabromo-2,6-diphenylnaphthalene
CID 155342029
1-iodo-2-phenyldibenzofuran
CID 166694702
2-bromo-1-ethyl-3-phenylbenzene
CID 174683375
2-bromo-3-phenylbenzonitrile
CID 141263565
2-bromo-6-phenyl-3-(4-phenylphenyl)pyridine
CID 142746925
1-chloro-3-fluoro-2-iodo-4-phenylbenzene
CID 163198119
2-bromo-3-(3-phenylphenyl)phenol
CID 174643694

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-iodo-1,4-diphenylbenzene?
The IUPAC name of 2-bromo-3-iodo-1,4-diphenylbenzene (CID 167285519) is 2-bromo-3-iodo-1,4-diphenylbenzene.
What is the SMILES notation for 2-bromo-3-iodo-1,4-diphenylbenzene?
The canonical SMILES for 2-bromo-3-iodo-1,4-diphenylbenzene is Brc1c(-c2ccccc2)ccc(-c2ccccc2)c1I.
What is the InChIKey of 2-bromo-3-iodo-1,4-diphenylbenzene?
The InChIKey is JWIRVWHYBFBRLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrI/c19-17-15(13-7-3-1-4-8-13)11-12-16(18(17)20)14-9-5-2-6-10-14/h1-12H.
What are the key properties of 2-bromo-3-iodo-1,4-diphenylbenzene?
2-bromo-3-iodo-1,4-diphenylbenzene 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 2-bromo-3-iodo-1,4-diphenylbenzene is sourced from PubChem (CID 167285519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).