5-(4-bromophenyl)naphtho[2,1-b][1]benzofuran

C22H13BrO — CID 118616071

IUPAC5-(4-bromophenyl)naphtho[2,1-b][1]benzofuran
SMILESBrc1ccc(-c2cc3oc4ccccc4c3c3ccccc23)cc1
InChIInChI=1S/C22H13BrO/c23-15-11-9-14(10-12-15)19-13-21-22(17-6-2-1-5-16(17)19)18-7-3-4-8-20(18)24-21/h1-13H
InChIKeyRAPXCAANGLNNGB-UHFFFAOYSA-N
MW373.25 g/mol
LogP7.17
Rot. Bonds1

About 5-(4-bromophenyl)naphtho[2,1-b][1]benzofuran

5-(4-bromophenyl)naphtho[2,1-b][1]benzofuran (PubChem CID 118616071) has the molecular formula C22H13BrO and a molecular weight of 373.25 g/mol. Its IUPAC name is 5-(4-bromophenyl)naphtho[2,1-b][1]benzofuran.

Molecular Properties

Compound Name5-(4-bromophenyl)naphtho[2,1-b][1]benzofuran
PubChem CID118616071
Molecular FormulaC22H13BrO
Molecular Weight373.25 g/mol
Exact Mass372.01
IUPAC Name5-(4-bromophenyl)naphtho[2,1-b][1]benzofuran
SMILESBrc1ccc(-c2cc3oc4ccccc4c3c3ccccc23)cc1
InChIInChI=1S/C22H13BrO/c23-15-11-9-14(10-12-15)19-13-21-22(17-6-2-1-5-16(17)19)18-7-3-4-8-20(18)24-21/h1-13H
InChIKeyRAPXCAANGLNNGB-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-(4-bromophenyl)-3-phenyldibenzofuran
CID 135295838
5-(4-isocyanophenyl)naphtho[2,1-b][1]benzofuran
CID 89027124
N-(4-naphtho[2,1-b][1]benzofuran-5-ylphenyl)-N,4-diphenylaniline
CID 170030744
1-(4-bromophenyl)-3-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran
CID 140891903
7-(4-bromophenyl)-10-phenylnaphtho[2,3-b][1]benzofuran
CID 167303576
4-(4-bromophenyl)dibenzofuran
CID 59022098
5,9-dibromonaphtho[2,1-b][1]benzofuran
CID 90263899
1-(4-bromophenyl)-4-(4-chlorophenyl)dibenzofuran
CID 162517717
9-[4-(10-phenylanthracen-9-yl)phenyl]-12,22-dioxahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene
CID 130185275
1-(3-bromo-5-dibenzofuran-1-ylphenyl)dibenzofuran
CID 147609065
9-[4-(10-dibenzofuran-2-ylanthracen-9-yl)phenyl]-12,22-dioxahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene
CID 130185533
3-chloro-5-(4-methoxyphenyl)naphtho[2,1-b][1]benzofuran
CID 177459326

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)naphtho[2,1-b][1]benzofuran?
The IUPAC name of 5-(4-bromophenyl)naphtho[2,1-b][1]benzofuran (CID 118616071) is 5-(4-bromophenyl)naphtho[2,1-b][1]benzofuran.
What is the SMILES notation for 5-(4-bromophenyl)naphtho[2,1-b][1]benzofuran?
The canonical SMILES for 5-(4-bromophenyl)naphtho[2,1-b][1]benzofuran is Brc1ccc(-c2cc3oc4ccccc4c3c3ccccc23)cc1.
What is the InChIKey of 5-(4-bromophenyl)naphtho[2,1-b][1]benzofuran?
The InChIKey is RAPXCAANGLNNGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13BrO/c23-15-11-9-14(10-12-15)19-13-21-22(17-6-2-1-5-16(17)19)18-7-3-4-8-20(18)24-21/h1-13H.
What are the key properties of 5-(4-bromophenyl)naphtho[2,1-b][1]benzofuran?
5-(4-bromophenyl)naphtho[2,1-b][1]benzofuran 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 5-(4-bromophenyl)naphtho[2,1-b][1]benzofuran is sourced from PubChem (CID 118616071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).