4-bromo-6-dibenzofuran-4-yldibenzofuran

C24H13BrO2 — CID 147905511

IUPAC4-bromo-6-dibenzofuran-4-yldibenzofuran
SMILESBrc1cccc2c1oc1c(-c3cccc4c3oc3ccccc34)cccc12
InChIInChI=1S/C24H13BrO2/c25-20-12-5-11-19-18-10-4-9-17(23(18)27-24(19)20)16-8-3-7-15-14-6-1-2-13-21(14)26-22(15)16/h1-13H
InChIKeyIFCJYRUPKOMPJY-UHFFFAOYSA-N
MW413.27 g/mol
LogP7.91
Rot. Bonds1

About 4-bromo-6-dibenzofuran-4-yldibenzofuran

4-bromo-6-dibenzofuran-4-yldibenzofuran (PubChem CID 147905511) has the molecular formula C24H13BrO2 and a molecular weight of 413.27 g/mol. Its IUPAC name is 4-bromo-6-dibenzofuran-4-yldibenzofuran.

Molecular Properties

Compound Name4-bromo-6-dibenzofuran-4-yldibenzofuran
PubChem CID147905511
Molecular FormulaC24H13BrO2
Molecular Weight413.27 g/mol
Exact Mass412.01
IUPAC Name4-bromo-6-dibenzofuran-4-yldibenzofuran
SMILESBrc1cccc2c1oc1c(-c3cccc4c3oc3ccccc34)cccc12
InChIInChI=1S/C24H13BrO2/c25-20-12-5-11-19-18-10-4-9-17(23(18)27-24(19)20)16-8-3-7-15-14-6-1-2-13-21(14)26-22(15)16/h1-13H
InChIKeyIFCJYRUPKOMPJY-UHFFFAOYSA-N
XLogP7.91
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.27
LogP ≤ 57.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 158212345
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CID 129100187
4-(4-bromophenyl)dibenzofuran
CID 59022098
18-bromo-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene
CID 164960874
4-bromodibenzofuran;4-phenylaniline
CID 122673561
4-(3-bromo-5-dibenzofuran-4-ylphenyl)dibenzofuran;methane
CID 142380453
1-bromo-6-naphthalen-1-yldibenzofuran
CID 134401872
4-(3-undecacyclo[30.16.0.02,7.08,25.010,23.011,16.017,22.026,31.034,47.035,40.041,46]octatetraconta-1(32),2,4,6,8(25),9,11,13,15,17,19,21,23,26,28,30,33,35,37,39,41,43,45,47-tetracosaenyl)dibenzofuran
CID 134429033
5-bromo-2-dibenzofuran-4-ylbenzoic acid
CID 122634670
4-(4-bromo-9-dibenzofuran-4-ylfluoren-9-yl)dibenzofuran
CID 142453719
4-(9-oxoxanthen-4-yl)xanthen-9-one
CID 58280681
4-[3-bromo-5-(3,5-diphenylphenyl)phenyl]dibenzofuran
CID 142380750

Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-dibenzofuran-4-yldibenzofuran?
The IUPAC name of 4-bromo-6-dibenzofuran-4-yldibenzofuran (CID 147905511) is 4-bromo-6-dibenzofuran-4-yldibenzofuran.
What is the SMILES notation for 4-bromo-6-dibenzofuran-4-yldibenzofuran?
The canonical SMILES for 4-bromo-6-dibenzofuran-4-yldibenzofuran is Brc1cccc2c1oc1c(-c3cccc4c3oc3ccccc34)cccc12.
What is the InChIKey of 4-bromo-6-dibenzofuran-4-yldibenzofuran?
The InChIKey is IFCJYRUPKOMPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H13BrO2/c25-20-12-5-11-19-18-10-4-9-17(23(18)27-24(19)20)16-8-3-7-15-14-6-1-2-13-21(14)26-22(15)16/h1-13H.
What are the key properties of 4-bromo-6-dibenzofuran-4-yldibenzofuran?
4-bromo-6-dibenzofuran-4-yldibenzofuran has a molecular weight of 413.27 g/mol, XLogP of 7.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-dibenzofuran-4-yldibenzofuran is sourced from PubChem (CID 147905511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).