5-bromo-2-dibenzofuran-2-yl-4-phenylpyridine

C23H14BrNO — CID 121367236

IUPAC5-bromo-2-dibenzofuran-2-yl-4-phenylpyridine
SMILESBrc1cnc(-c2ccc3oc4ccccc4c3c2)cc1-c1ccccc1
InChIInChI=1S/C23H14BrNO/c24-20-14-25-21(13-18(20)15-6-2-1-3-7-15)16-10-11-23-19(12-16)17-8-4-5-9-22(17)26-23/h1-14H
InChIKeyMTSBKMLHFSPOFY-UHFFFAOYSA-N
MW400.28 g/mol
LogP7.08
Rot. Bonds2

About 5-bromo-2-dibenzofuran-2-yl-4-phenylpyridine

5-bromo-2-dibenzofuran-2-yl-4-phenylpyridine (PubChem CID 121367236) has the molecular formula C23H14BrNO and a molecular weight of 400.28 g/mol. Its IUPAC name is 5-bromo-2-dibenzofuran-2-yl-4-phenylpyridine.

Molecular Properties

Compound Name5-bromo-2-dibenzofuran-2-yl-4-phenylpyridine
PubChem CID121367236
Molecular FormulaC23H14BrNO
Molecular Weight400.28 g/mol
Exact Mass399.03
IUPAC Name5-bromo-2-dibenzofuran-2-yl-4-phenylpyridine
SMILESBrc1cnc(-c2ccc3oc4ccccc4c3c2)cc1-c1ccccc1
InChIInChI=1S/C23H14BrNO/c24-20-14-25-21(13-18(20)15-6-2-1-3-7-15)16-10-11-23-19(12-16)17-8-4-5-9-22(17)26-23/h1-14H
InChIKeyMTSBKMLHFSPOFY-UHFFFAOYSA-N
XLogP7.08
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.28
LogP ≤ 57.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-bromo-5-dibenzofuran-2-ylphenyl)-6-dibenzofuran-2-yl-2-phenylpyrimidine
CID 147753692
(6-dibenzofuran-2-yl-3-pyridinyl)-methyl-diphenylsilane
CID 140719613
2-(4-dibenzofuran-2-ylphenyl)-5-[10-(4-phenylphenyl)anthracen-9-yl]pyridine
CID 147052468
2-(3-bromophenyl)-4,6-di(dibenzofuran-2-yl)-1,3,5-triazine
CID 156754970
2-bromo-5-(10-dibenzofuran-2-ylanthracen-9-yl)pyridine
CID 134531373
2,3-diphenyldibenzofuran
CID 12699263
2-[3-(3-bromophenyl)phenyl]-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine
CID 155203519
5-dibenzofuran-2-yl-4-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene
CID 90076974
2-(4-iodo-3,5-diphenylphenyl)dibenzofuran
CID 177108172
2,4-di(dibenzofuran-2-yl)pyrimidine
CID 121340967
4-(3-bromo-5-pyridin-3-ylphenyl)-6-dibenzofuran-2-yl-2-phenylpyrimidine
CID 150536017
4-dibenzofuran-3-yl-6-(3,5-diphenylphenyl)pyrimidine
CID 155079111

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-dibenzofuran-2-yl-4-phenylpyridine?
The IUPAC name of 5-bromo-2-dibenzofuran-2-yl-4-phenylpyridine (CID 121367236) is 5-bromo-2-dibenzofuran-2-yl-4-phenylpyridine.
What is the SMILES notation for 5-bromo-2-dibenzofuran-2-yl-4-phenylpyridine?
The canonical SMILES for 5-bromo-2-dibenzofuran-2-yl-4-phenylpyridine is Brc1cnc(-c2ccc3oc4ccccc4c3c2)cc1-c1ccccc1.
What is the InChIKey of 5-bromo-2-dibenzofuran-2-yl-4-phenylpyridine?
The InChIKey is MTSBKMLHFSPOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14BrNO/c24-20-14-25-21(13-18(20)15-6-2-1-3-7-15)16-10-11-23-19(12-16)17-8-4-5-9-22(17)26-23/h1-14H.
What are the key properties of 5-bromo-2-dibenzofuran-2-yl-4-phenylpyridine?
5-bromo-2-dibenzofuran-2-yl-4-phenylpyridine has a molecular weight of 400.28 g/mol, XLogP of 7.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-dibenzofuran-2-yl-4-phenylpyridine is sourced from PubChem (CID 121367236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).