5,9-dibromonaphtho[2,1-b][1]benzofuran

C16H8Br2O — CID 90263899

IUPAC5,9-dibromonaphtho[2,1-b][1]benzofuran
SMILESBrc1ccc2c(c1)oc1cc(Br)c3ccccc3c12
InChIInChI=1S/C16H8Br2O/c17-9-5-6-12-14(7-9)19-15-8-13(18)10-3-1-2-4-11(10)16(12)15/h1-8H
InChIKeyDLWLZVUFKHVIKP-UHFFFAOYSA-N
MW376.05 g/mol
LogP6.26
Rot. Bonds

About 5,9-dibromonaphtho[2,1-b][1]benzofuran

5,9-dibromonaphtho[2,1-b][1]benzofuran (PubChem CID 90263899) has the molecular formula C16H8Br2O and a molecular weight of 376.05 g/mol. Its IUPAC name is 5,9-dibromonaphtho[2,1-b][1]benzofuran.

Molecular Properties

Compound Name5,9-dibromonaphtho[2,1-b][1]benzofuran
PubChem CID90263899
Molecular FormulaC16H8Br2O
Molecular Weight376.05 g/mol
Exact Mass373.89
IUPAC Name5,9-dibromonaphtho[2,1-b][1]benzofuran
SMILESBrc1ccc2c(c1)oc1cc(Br)c3ccccc3c12
InChIInChI=1S/C16H8Br2O/c17-9-5-6-12-14(7-9)19-15-8-13(18)10-3-1-2-4-11(10)16(12)15/h1-8H
InChIKeyDLWLZVUFKHVIKP-UHFFFAOYSA-N
XLogP6.26
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.05
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

10-bromo-13-oxaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene
CID 154600229
1,7-dibromodibenzofuran
CID 6427988
3-bromoanthra[2,1-b][1]benzofuran
CID 89117267
3-bromo-11-chloronaphtho[2,3-b][1]benzofuran
CID 163787145
10,21-dibromopentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaene
CID 89308355
5-(4-bromophenyl)naphtho[2,1-b][1]benzofuran
CID 118616071
9-bromo-14-chloro-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 155763695
3-bromo-2-chlorodibenzofuran
CID 154949827
20-bromo-3-chloro-12-oxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene
CID 155484512
7-bromo-10H-[1]benzofuro[3,2-b]indole
CID 162350952
3-bromo-1-methylsulfanyldibenzofuran
CID 19887832
8-bromonaphtho[2,3-b][1]benzofuran
CID 154948063

Frequently Asked Questions

What is the IUPAC name of 5,9-dibromonaphtho[2,1-b][1]benzofuran?
The IUPAC name of 5,9-dibromonaphtho[2,1-b][1]benzofuran (CID 90263899) is 5,9-dibromonaphtho[2,1-b][1]benzofuran.
What is the SMILES notation for 5,9-dibromonaphtho[2,1-b][1]benzofuran?
The canonical SMILES for 5,9-dibromonaphtho[2,1-b][1]benzofuran is Brc1ccc2c(c1)oc1cc(Br)c3ccccc3c12.
What is the InChIKey of 5,9-dibromonaphtho[2,1-b][1]benzofuran?
The InChIKey is DLWLZVUFKHVIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8Br2O/c17-9-5-6-12-14(7-9)19-15-8-13(18)10-3-1-2-4-11(10)16(12)15/h1-8H.
What are the key properties of 5,9-dibromonaphtho[2,1-b][1]benzofuran?
5,9-dibromonaphtho[2,1-b][1]benzofuran has a molecular weight of 376.05 g/mol, XLogP of 6.26, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,9-dibromonaphtho[2,1-b][1]benzofuran is sourced from PubChem (CID 90263899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).