1-bromo-6-naphthalen-1-yldibenzofuran

C22H13BrO — CID 134401872

IUPAC1-bromo-6-naphthalen-1-yldibenzofuran
SMILESBrc1cccc2oc3c(-c4cccc5ccccc45)cccc3c12
InChIInChI=1S/C22H13BrO/c23-19-12-5-13-20-21(19)18-11-4-10-17(22(18)24-20)16-9-3-7-14-6-1-2-8-15(14)16/h1-13H
InChIKeyCBQSOMLQVUHWCN-UHFFFAOYSA-N
MW373.25 g/mol
LogP7.17
Rot. Bonds1

About 1-bromo-6-naphthalen-1-yldibenzofuran

1-bromo-6-naphthalen-1-yldibenzofuran (PubChem CID 134401872) has the molecular formula C22H13BrO and a molecular weight of 373.25 g/mol. Its IUPAC name is 1-bromo-6-naphthalen-1-yldibenzofuran.

Molecular Properties

Compound Name1-bromo-6-naphthalen-1-yldibenzofuran
PubChem CID134401872
Molecular FormulaC22H13BrO
Molecular Weight373.25 g/mol
Exact Mass372.01
IUPAC Name1-bromo-6-naphthalen-1-yldibenzofuran
SMILESBrc1cccc2oc3c(-c4cccc5ccccc45)cccc3c12
InChIInChI=1S/C22H13BrO/c23-19-12-5-13-20-21(19)18-11-4-10-17(22(18)24-20)16-9-3-7-14-6-1-2-8-15(14)16/h1-13H
InChIKeyCBQSOMLQVUHWCN-UHFFFAOYSA-N
XLogP7.17
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.25
LogP ≤ 57.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-bromo-6-naphthalen-1-yldibenzofuran;(6-naphthalen-1-yldibenzofuran-1-yl)boronic acid
CID 159775493
8-(10-naphthalen-1-yl-8-naphtho[2,1-b][1]benzofuran-8-ylanthracen-1-yl)naphtho[2,1-b][1]benzofuran
CID 155333434
4-bromo-6-dibenzofuran-4-yldibenzofuran
CID 147905511
6-naphthalen-1-yl-1-[10-[(2-naphthalen-1-ylphenyl)methyl]anthracen-9-yl]dibenzofuran
CID 167394382
1-(8-naphthalen-1-ylpyren-1-yl)-6-phenyldibenzofuran
CID 170658024
10-(4-bromonaphthalen-1-yl)naphtho[1,2-b][1]benzofuran
CID 118616472
4-(10-naphthalen-1-yl-8-naphtho[2,3-b][1]benzofuran-4-ylanthracen-1-yl)naphtho[2,3-b][1]benzofuran
CID 135183399
2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-(6-naphthalen-1-yldibenzofuran-1-yl)-1,3,5-triazine
CID 176617093
2-dibenzofuran-4-yl-4-[4-(6-naphthalen-1-yldibenzofuran-1-yl)naphthalen-1-yl]-6-phenyl-1,3,5-triazine
CID 166743398
1-bromodibenzofuran;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]dibenzofuran-1-amine;4-[4-[[4-(4-naphthalen-1-ylphenyl)phenyl]methyl]phenyl]dibenzofuran
CID 159126072
1-(2,5-dibromo-4-naphthalen-1-ylphenyl)naphthalene
CID 18454866
4-bromo-6-fluoranthen-3-yldibenzofuran
CID 129100187

Frequently Asked Questions

What is the IUPAC name of 1-bromo-6-naphthalen-1-yldibenzofuran?
The IUPAC name of 1-bromo-6-naphthalen-1-yldibenzofuran (CID 134401872) is 1-bromo-6-naphthalen-1-yldibenzofuran.
What is the SMILES notation for 1-bromo-6-naphthalen-1-yldibenzofuran?
The canonical SMILES for 1-bromo-6-naphthalen-1-yldibenzofuran is Brc1cccc2oc3c(-c4cccc5ccccc45)cccc3c12.
What is the InChIKey of 1-bromo-6-naphthalen-1-yldibenzofuran?
The InChIKey is CBQSOMLQVUHWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13BrO/c23-19-12-5-13-20-21(19)18-11-4-10-17(22(18)24-20)16-9-3-7-14-6-1-2-8-15(14)16/h1-13H.
What are the key properties of 1-bromo-6-naphthalen-1-yldibenzofuran?
1-bromo-6-naphthalen-1-yldibenzofuran has a molecular weight of 373.25 g/mol, XLogP of 7.17, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-6-naphthalen-1-yldibenzofuran is sourced from PubChem (CID 134401872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).