6-(4-bromophenyl)-2H-dibenzofuran-2-ylium

C18H10BrO+ — CID 123878551

IUPAC6-(4-bromophenyl)-2H-dibenzofuran-2-ylium
SMILESBrc1ccc(-c2cccc3c4c(oc23)C=C[C+]=C4)cc1
InChIInChI=1S/C18H10BrO/c19-13-10-8-12(9-11-13)14-5-3-6-16-15-4-1-2-7-17(15)20-18(14)16/h2-11H/q+1
InChIKeyVXJVHAYJDPLNHR-UHFFFAOYSA-N
MW322.18 g/mol
LogP5.71
Rot. Bonds1

About 6-(4-bromophenyl)-2H-dibenzofuran-2-ylium

6-(4-bromophenyl)-2H-dibenzofuran-2-ylium (PubChem CID 123878551) has the molecular formula C18H10BrO+ and a molecular weight of 322.18 g/mol. Its IUPAC name is 6-(4-bromophenyl)-2H-dibenzofuran-2-ylium.

Molecular Properties

Compound Name6-(4-bromophenyl)-2H-dibenzofuran-2-ylium
PubChem CID123878551
Molecular FormulaC18H10BrO+
Molecular Weight322.18 g/mol
Exact Mass320.99
IUPAC Name6-(4-bromophenyl)-2H-dibenzofuran-2-ylium
SMILESBrc1ccc(-c2cccc3c4c(oc23)C=C[C+]=C4)cc1
InChIInChI=1S/C18H10BrO/c19-13-10-8-12(9-11-13)14-5-3-6-16-15-4-1-2-7-17(15)20-18(14)16/h2-11H/q+1
InChIKeyVXJVHAYJDPLNHR-UHFFFAOYSA-N
XLogP5.71
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.18
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(4-bromophenyl)dibenzofuran
CID 59022098
4-(4-bromophenyl)-6-dibenzothiophen-4-yldibenzofuran
CID 139552015
4-[4-(4-phenyl-1H-cyclopenta[a]inden-4-yl)phenyl]cyclohepta[b][1]benzofuran
CID 167069128
N-(4-bromophenyl)-N-(4-dibenzofuran-4-ylphenyl)-2-phenylaniline
CID 135165693
4-(3-bromonaphthalen-2-yl)-6-phenyldibenzofuran
CID 118616510
1-bromo-4-(2-chlorophenyl)benzene
CID 12939408
1-(4-bromophenyl)-4-(4-chlorophenyl)dibenzofuran
CID 162517717
11-(4-chlorophenyl)-5-(cyclohexatrienyl)-[1]benzofuro[3,2-c]carbazole
CID 123386539
4-(4-bromophenyl)-6-[(2E,4Z)-hepta-2,4,6-trien-3-yl]dibenzofuran
CID 121449415
4-(3-bromo-5-dibenzofuran-4-ylphenyl)dibenzofuran;methane
CID 142380453
2-(4-bromophenyl)-4,6-bis(4-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 142724155
2,5-bis[4-(6-methyldibenzofuran-4-yl)phenyl]-1,3,4-oxadiazole
CID 70332227

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromophenyl)-2H-dibenzofuran-2-ylium?
The IUPAC name of 6-(4-bromophenyl)-2H-dibenzofuran-2-ylium (CID 123878551) is 6-(4-bromophenyl)-2H-dibenzofuran-2-ylium.
What is the SMILES notation for 6-(4-bromophenyl)-2H-dibenzofuran-2-ylium?
The canonical SMILES for 6-(4-bromophenyl)-2H-dibenzofuran-2-ylium is Brc1ccc(-c2cccc3c4c(oc23)C=C[C+]=C4)cc1.
What is the InChIKey of 6-(4-bromophenyl)-2H-dibenzofuran-2-ylium?
The InChIKey is VXJVHAYJDPLNHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10BrO/c19-13-10-8-12(9-11-13)14-5-3-6-16-15-4-1-2-7-17(15)20-18(14)16/h2-11H/q+1.
What are the key properties of 6-(4-bromophenyl)-2H-dibenzofuran-2-ylium?
6-(4-bromophenyl)-2H-dibenzofuran-2-ylium has a molecular weight of 322.18 g/mol, XLogP of 5.71, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromophenyl)-2H-dibenzofuran-2-ylium is sourced from PubChem (CID 123878551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).