2-[3-bromo-5-(2,3-diphenylphenoxy)phenyl]dibenzofuran

C36H23BrO2 — CID 169042427

IUPAC2-[3-bromo-5-(2,3-diphenylphenoxy)phenyl]dibenzofuran
SMILESBrc1cc(Oc2cccc(-c3ccccc3)c2-c2ccccc2)cc(-c2ccc3oc4ccccc4c3c2)c1
InChIInChI=1S/C36H23BrO2/c37-28-20-27(26-18-19-34-32(22-26)31-14-7-8-16-33(31)39-34)21-29(23-28)38-35-17-9-15-30(24-10-3-1-4-11-24)36(35)25-12-5-2-6-13-25/h1-23H
InChIKeyXQTFRURMKZJDMB-UHFFFAOYSA-N
MW567.48 g/mol
LogP11.14
Rot. Bonds5

About 2-[3-bromo-5-(2,3-diphenylphenoxy)phenyl]dibenzofuran

2-[3-bromo-5-(2,3-diphenylphenoxy)phenyl]dibenzofuran (PubChem CID 169042427) has the molecular formula C36H23BrO2 and a molecular weight of 567.48 g/mol. Its IUPAC name is 2-[3-bromo-5-(2,3-diphenylphenoxy)phenyl]dibenzofuran.

Molecular Properties

Compound Name2-[3-bromo-5-(2,3-diphenylphenoxy)phenyl]dibenzofuran
PubChem CID169042427
Molecular FormulaC36H23BrO2
Molecular Weight567.48 g/mol
Exact Mass566.09
IUPAC Name2-[3-bromo-5-(2,3-diphenylphenoxy)phenyl]dibenzofuran
SMILESBrc1cc(Oc2cccc(-c3ccccc3)c2-c2ccccc2)cc(-c2ccc3oc4ccccc4c3c2)c1
InChIInChI=1S/C36H23BrO2/c37-28-20-27(26-18-19-34-32(22-26)31-14-7-8-16-33(31)39-34)21-29(23-28)38-35-17-9-15-30(24-10-3-1-4-11-24)36(35)25-12-5-2-6-13-25/h1-23H
InChIKeyXQTFRURMKZJDMB-UHFFFAOYSA-N
XLogP11.14
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.48
LogP ≤ 511.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 58050596
2-[3-(4-dibenzofuran-2-ylphenyl)-2-phenylphenyl]-4,6-diphenyl-1,3,5-triazine
CID 174327330
2-(3-bromo-5-methylphenyl)dibenzofuran
CID 121368269
2-[3-(9,10-diphenylanthracen-2-yl)-5-(3-phenylphenyl)phenyl]dibenzofuran
CID 58261864
3-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylbenzonitrile
CID 146354418
2-dibenzofuran-2-yl-4-(2,3-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 169297262
2-[10-(2-dibenzofuran-3-yl-6-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 171447273
2-[3-(3-bromophenyl)phenyl]-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine
CID 155203519
2-(4-iodo-3,5-diphenylphenyl)dibenzofuran
CID 177108172
4-(3-bromo-5-dibenzofuran-2-ylphenyl)-6-dibenzofuran-2-yl-2-phenylpyrimidine
CID 147753692
2-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 58536122
2-[3-phenyl-2-(10-triphenylen-1-ylanthracen-9-yl)phenyl]dibenzofuran
CID 171447225

Frequently Asked Questions

What is the IUPAC name of 2-[3-bromo-5-(2,3-diphenylphenoxy)phenyl]dibenzofuran?
The IUPAC name of 2-[3-bromo-5-(2,3-diphenylphenoxy)phenyl]dibenzofuran (CID 169042427) is 2-[3-bromo-5-(2,3-diphenylphenoxy)phenyl]dibenzofuran.
What is the SMILES notation for 2-[3-bromo-5-(2,3-diphenylphenoxy)phenyl]dibenzofuran?
The canonical SMILES for 2-[3-bromo-5-(2,3-diphenylphenoxy)phenyl]dibenzofuran is Brc1cc(Oc2cccc(-c3ccccc3)c2-c2ccccc2)cc(-c2ccc3oc4ccccc4c3c2)c1.
What is the InChIKey of 2-[3-bromo-5-(2,3-diphenylphenoxy)phenyl]dibenzofuran?
The InChIKey is XQTFRURMKZJDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H23BrO2/c37-28-20-27(26-18-19-34-32(22-26)31-14-7-8-16-33(31)39-34)21-29(23-28)38-35-17-9-15-30(24-10-3-1-4-11-24)36(35)25-12-5-2-6-13-25/h1-23H.
What are the key properties of 2-[3-bromo-5-(2,3-diphenylphenoxy)phenyl]dibenzofuran?
2-[3-bromo-5-(2,3-diphenylphenoxy)phenyl]dibenzofuran has a molecular weight of 567.48 g/mol, XLogP of 11.14, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-bromo-5-(2,3-diphenylphenoxy)phenyl]dibenzofuran is sourced from PubChem (CID 169042427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).