3-(3-bromophenyl)naphtho[2,3-b][1]benzofuran

C22H13BrO — CID 90433350

IUPAC3-(3-bromophenyl)naphtho[2,3-b][1]benzofuran
SMILESBrc1cccc(-c2ccc3c(c2)oc2cc4ccccc4cc23)c1
InChIInChI=1S/C22H13BrO/c23-18-7-3-6-14(10-18)17-8-9-19-20-11-15-4-1-2-5-16(15)12-22(20)24-21(19)13-17/h1-13H
InChIKeyIVOLKJOUVXDZEP-UHFFFAOYSA-N
MW373.25 g/mol
LogP7.17
Rot. Bonds1

About 3-(3-bromophenyl)naphtho[2,3-b][1]benzofuran

3-(3-bromophenyl)naphtho[2,3-b][1]benzofuran (PubChem CID 90433350) has the molecular formula C22H13BrO and a molecular weight of 373.25 g/mol. Its IUPAC name is 3-(3-bromophenyl)naphtho[2,3-b][1]benzofuran.

Molecular Properties

Compound Name3-(3-bromophenyl)naphtho[2,3-b][1]benzofuran
PubChem CID90433350
Molecular FormulaC22H13BrO
Molecular Weight373.25 g/mol
Exact Mass372.01
IUPAC Name3-(3-bromophenyl)naphtho[2,3-b][1]benzofuran
SMILESBrc1cccc(-c2ccc3c(c2)oc2cc4ccccc4cc23)c1
InChIInChI=1S/C22H13BrO/c23-18-7-3-6-14(10-18)17-8-9-19-20-11-15-4-1-2-5-16(15)12-22(20)24-21(19)13-17/h1-13H
InChIKeyIVOLKJOUVXDZEP-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

2-[4-[4-(3-bromophenyl)phenyl]phenyl]-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine
CID 155757967
7-bromo-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 155318564
7,19-bis(3-phenanthren-9-ylphenyl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene
CID 153303292
2-[4-[3-(3-bromophenyl)phenyl]phenyl]-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine
CID 155758053
2-naphtho[2,3-b][1]benzofuran-3-yl-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 163563632
2-naphthalen-2-yl-4-(6-naphtho[2,3-b][1]benzofuran-3-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazine
CID 146919730
2-(3-bromophenyl)-4,6-di(dibenzofuran-2-yl)-1,3,5-triazine
CID 156754970
2-naphthalen-2-yl-4-(4-naphthalen-2-ylphenyl)-6-naphtho[2,3-b][1]benzofuran-3-yl-1,3,5-triazine
CID 163675937
3-[1,2,3,4,5,6,7,8-octadeuterio-10-(3-phenylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 171420902
8-bromonaphtho[2,3-b][1]benzofuran
CID 154948063
2-(9-naphtho[2,3-b][1]benzofuran-3-ylnaphtho[2,3-b][1]benzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 174316497
2-(8-bromodibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine
CID 147340530

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)naphtho[2,3-b][1]benzofuran?
The IUPAC name of 3-(3-bromophenyl)naphtho[2,3-b][1]benzofuran (CID 90433350) is 3-(3-bromophenyl)naphtho[2,3-b][1]benzofuran.
What is the SMILES notation for 3-(3-bromophenyl)naphtho[2,3-b][1]benzofuran?
The canonical SMILES for 3-(3-bromophenyl)naphtho[2,3-b][1]benzofuran is Brc1cccc(-c2ccc3c(c2)oc2cc4ccccc4cc23)c1.
What is the InChIKey of 3-(3-bromophenyl)naphtho[2,3-b][1]benzofuran?
The InChIKey is IVOLKJOUVXDZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13BrO/c23-18-7-3-6-14(10-18)17-8-9-19-20-11-15-4-1-2-5-16(15)12-22(20)24-21(19)13-17/h1-13H.
What are the key properties of 3-(3-bromophenyl)naphtho[2,3-b][1]benzofuran?
3-(3-bromophenyl)naphtho[2,3-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 3-(3-bromophenyl)naphtho[2,3-b][1]benzofuran is sourced from PubChem (CID 90433350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).