1-(3-bromo-5-dibenzofuran-1-ylphenyl)dibenzofuran

C30H17BrO2 — CID 147609065

IUPAC1-(3-bromo-5-dibenzofuran-1-ylphenyl)dibenzofuran
SMILESBrc1cc(-c2cccc3oc4ccccc4c23)cc(-c2cccc3oc4ccccc4c23)c1
InChIInChI=1S/C30H17BrO2/c31-20-16-18(21-9-5-13-27-29(21)23-7-1-3-11-25(23)32-27)15-19(17-20)22-10-6-14-28-30(22)24-8-2-4-12-26(24)33-28/h1-17H
InChIKeyGBQGTGFNLKTKHF-UHFFFAOYSA-N
MW489.37 g/mol
LogP9.58
Rot. Bonds2

About 1-(3-bromo-5-dibenzofuran-1-ylphenyl)dibenzofuran

1-(3-bromo-5-dibenzofuran-1-ylphenyl)dibenzofuran (PubChem CID 147609065) has the molecular formula C30H17BrO2 and a molecular weight of 489.37 g/mol. Its IUPAC name is 1-(3-bromo-5-dibenzofuran-1-ylphenyl)dibenzofuran.

Molecular Properties

Compound Name1-(3-bromo-5-dibenzofuran-1-ylphenyl)dibenzofuran
PubChem CID147609065
Molecular FormulaC30H17BrO2
Molecular Weight489.37 g/mol
Exact Mass488.04
IUPAC Name1-(3-bromo-5-dibenzofuran-1-ylphenyl)dibenzofuran
SMILESBrc1cc(-c2cccc3oc4ccccc4c23)cc(-c2cccc3oc4ccccc4c23)c1
InChIInChI=1S/C30H17BrO2/c31-20-16-18(21-9-5-13-27-29(21)23-7-1-3-11-25(23)32-27)15-19(17-20)22-10-6-14-28-30(22)24-8-2-4-12-26(24)33-28/h1-17H
InChIKeyGBQGTGFNLKTKHF-UHFFFAOYSA-N
XLogP9.58
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.37
LogP ≤ 59.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-dibenzofuran-1-ylphenyl)dibenzofuran
CID 170213719
1-[3-[3-[3-(3-dibenzofuran-1-ylphenyl)phenyl]phenyl]phenyl]dibenzofuran
CID 90265769
1-[3,5-bis(3-phenylphenyl)phenyl]dibenzofuran
CID 154618828
4-(3-bromo-5-dibenzofuran-4-ylphenyl)dibenzofuran;methane
CID 142380453
2-[3-dibenzofuran-1-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 139442533
4-[3-bromo-5-(3,5-diphenylphenyl)phenyl]dibenzofuran
CID 142380750
1-[3-(5-bromo-2-methylphenyl)-4-methylphenyl]dibenzofuran
CID 166923235
2-dibenzofuran-1-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(3,5-dibromophenyl)-4,6-diphenyl-1,3,5-triazine;2-[3,5-di(dibenzofuran-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 159630177
3-(3-bromo-5-dibenzofuran-1-ylphenyl)-9-phenanthren-9-ylcarbazole
CID 122666171
2-[3,5-di(dibenzofuran-1-yl)phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine
CID 164942695
3-dibenzofuran-1-yl-1-[10-(3,5-diphenylphenyl)anthracen-9-yl]dibenzofuran
CID 167306847
5-[9-[3-phenyl-5-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]naphtho[2,1-b][1]benzofuran
CID 167419865

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-dibenzofuran-1-ylphenyl)dibenzofuran?
The IUPAC name of 1-(3-bromo-5-dibenzofuran-1-ylphenyl)dibenzofuran (CID 147609065) is 1-(3-bromo-5-dibenzofuran-1-ylphenyl)dibenzofuran.
What is the SMILES notation for 1-(3-bromo-5-dibenzofuran-1-ylphenyl)dibenzofuran?
The canonical SMILES for 1-(3-bromo-5-dibenzofuran-1-ylphenyl)dibenzofuran is Brc1cc(-c2cccc3oc4ccccc4c23)cc(-c2cccc3oc4ccccc4c23)c1.
What is the InChIKey of 1-(3-bromo-5-dibenzofuran-1-ylphenyl)dibenzofuran?
The InChIKey is GBQGTGFNLKTKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H17BrO2/c31-20-16-18(21-9-5-13-27-29(21)23-7-1-3-11-25(23)32-27)15-19(17-20)22-10-6-14-28-30(22)24-8-2-4-12-26(24)33-28/h1-17H.
What are the key properties of 1-(3-bromo-5-dibenzofuran-1-ylphenyl)dibenzofuran?
1-(3-bromo-5-dibenzofuran-1-ylphenyl)dibenzofuran has a molecular weight of 489.37 g/mol, XLogP of 9.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-dibenzofuran-1-ylphenyl)dibenzofuran is sourced from PubChem (CID 147609065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).