1-bromo-4-(4-iodophenyl)dibenzofuran

C18H10BrIO — CID 155078128

IUPAC1-bromo-4-(4-iodophenyl)dibenzofuran
SMILESBrc1ccc(-c2ccc(I)cc2)c2oc3ccccc3c12
InChIInChI=1S/C18H10BrIO/c19-15-10-9-13(11-5-7-12(20)8-6-11)18-17(15)14-3-1-2-4-16(14)21-18/h1-10H
InChIKeyZDWBMKBAMFKOOA-UHFFFAOYSA-N
MW449.09 g/mol
LogP6.62
Rot. Bonds1

About 1-bromo-4-(4-iodophenyl)dibenzofuran

1-bromo-4-(4-iodophenyl)dibenzofuran (PubChem CID 155078128) has the molecular formula C18H10BrIO and a molecular weight of 449.09 g/mol. Its IUPAC name is 1-bromo-4-(4-iodophenyl)dibenzofuran.

Molecular Properties

Compound Name1-bromo-4-(4-iodophenyl)dibenzofuran
PubChem CID155078128
Molecular FormulaC18H10BrIO
Molecular Weight449.09 g/mol
Exact Mass447.90
IUPAC Name1-bromo-4-(4-iodophenyl)dibenzofuran
SMILESBrc1ccc(-c2ccc(I)cc2)c2oc3ccccc3c12
InChIInChI=1S/C18H10BrIO/c19-15-10-9-13(11-5-7-12(20)8-6-11)18-17(15)14-3-1-2-4-16(14)21-18/h1-10H
InChIKeyZDWBMKBAMFKOOA-UHFFFAOYSA-N
XLogP6.62
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.09
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(1-bromodibenzofuran-4-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 142750812
1-(4-bromophenyl)-4-(4-chlorophenyl)dibenzofuran
CID 162517717
1-bromo-4-(4-iodophenyl)naphthalene
CID 58161324
4-phenyldibenzofuran-1-amine
CID 175743038
1-(4-phenylphenyl)dibenzofuran-4-amine
CID 121250061
4-[4-[6-[4-(4-iodophenyl)phenyl]naphthalen-2-yl]phenyl]dibenzofuran
CID 170289926
1-iodo-2-phenyldibenzofuran
CID 166694702
4-(4-bromophenyl)dibenzofuran
CID 59022098
4-(4-iodophenyl)-2-methyldibenzofuran
CID 161298948
2,4-diphenyl-6-[4-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 142491264
5-(4-bromophenyl)naphtho[2,1-b][1]benzofuran
CID 118616071
4-bromo-6-phenyldibenzofuran;4-phenyldibenzofuran
CID 158212345

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(4-iodophenyl)dibenzofuran?
The IUPAC name of 1-bromo-4-(4-iodophenyl)dibenzofuran (CID 155078128) is 1-bromo-4-(4-iodophenyl)dibenzofuran.
What is the SMILES notation for 1-bromo-4-(4-iodophenyl)dibenzofuran?
The canonical SMILES for 1-bromo-4-(4-iodophenyl)dibenzofuran is Brc1ccc(-c2ccc(I)cc2)c2oc3ccccc3c12.
What is the InChIKey of 1-bromo-4-(4-iodophenyl)dibenzofuran?
The InChIKey is ZDWBMKBAMFKOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10BrIO/c19-15-10-9-13(11-5-7-12(20)8-6-11)18-17(15)14-3-1-2-4-16(14)21-18/h1-10H.
What are the key properties of 1-bromo-4-(4-iodophenyl)dibenzofuran?
1-bromo-4-(4-iodophenyl)dibenzofuran has a molecular weight of 449.09 g/mol, XLogP of 6.62, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(4-iodophenyl)dibenzofuran is sourced from PubChem (CID 155078128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).