9-bromo-7,7-dimethylfluoreno[2,3-b][1]benzofuran

C21H15BrO — CID 130288485

IUPAC9-bromo-7,7-dimethylfluoreno[2,3-b][1]benzofuran
SMILESCC1(C)c2cc(Br)ccc2-c2cc3c(cc21)oc1ccccc13
InChIInChI=1S/C21H15BrO/c1-21(2)17-9-12(22)7-8-13(17)15-10-16-14-5-3-4-6-19(14)23-20(16)11-18(15)21/h3-11H,1-2H3
InChIKeyJUPTWHYRFVNBNC-UHFFFAOYSA-N
MW363.25 g/mol
LogP6.65
Rot. Bonds

About 9-bromo-7,7-dimethylfluoreno[2,3-b][1]benzofuran

9-bromo-7,7-dimethylfluoreno[2,3-b][1]benzofuran (PubChem CID 130288485) has the molecular formula C21H15BrO and a molecular weight of 363.25 g/mol. Its IUPAC name is 9-bromo-7,7-dimethylfluoreno[2,3-b][1]benzofuran.

Molecular Properties

Compound Name9-bromo-7,7-dimethylfluoreno[2,3-b][1]benzofuran
PubChem CID130288485
Molecular FormulaC21H15BrO
Molecular Weight363.25 g/mol
Exact Mass362.03
IUPAC Name9-bromo-7,7-dimethylfluoreno[2,3-b][1]benzofuran
SMILESCC1(C)c2cc(Br)ccc2-c2cc3c(cc21)oc1ccccc13
InChIInChI=1S/C21H15BrO/c1-21(2)17-9-12(22)7-8-13(17)15-10-16-14-5-3-4-6-19(14)23-20(16)11-18(15)21/h3-11H,1-2H3
InChIKeyJUPTWHYRFVNBNC-UHFFFAOYSA-N
XLogP6.65
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.25
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7,7,9-trimethylfluoreno[2,3-b][1]benzofuran
CID 129267055
2-dibenzofuran-3-yl-7,7-dimethylfluoreno[2,3-b][1]benzofuran
CID 140907338
7,7-dimethyl-9-[3-(10-phenylanthracen-9-yl)phenyl]fluoreno[2,3-b][1]benzofuran
CID 130189425
N-(12,12-dimethyl-7-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaenyl)-7,7-dimethyl-N-naphthalen-2-ylfluoreno[2,3-b][1]benzofuran-9-amine
CID 130290634
12,22-dibromo-15,15,19,19-tetramethyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2,4,6,8,11,13,17,20(25),21,23,26-dodecaene
CID 142355697
12,22-dibromo-15,15,19,19-tetramethyl-4-oxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2,5,7,9,11,13,17,20(25),21,23,26-dodecaene
CID 142355688
2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-9-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 134218012
9-bromo-11,11-dimethylfluoreno[3,2-b][1]benzofuran;N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N-(4-phenylphenyl)fluoreno[3,2-b][1]benzofuran-9-amine;9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 157463522
2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-9-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 130232863
2-(9,9-dimethylfluoren-2-yl)dibenzofuran
CID 122548566
1-dibenzofuran-3-yl-7,7-dimethylfluoreno[2,3-b][1]benzofuran
CID 140907201
7,7-dimethylfluoreno[2,3-b][1]benzofuran;7,7-dimethylfluoreno[4,3-b][1]benzofuran;12,12-dimethylfluoreno[1,2-b][1]benzofuran;12,12-dimethylfluoreno[2,1-b][1]benzofuran
CID 159580171

Frequently Asked Questions

What is the IUPAC name of 9-bromo-7,7-dimethylfluoreno[2,3-b][1]benzofuran?
The IUPAC name of 9-bromo-7,7-dimethylfluoreno[2,3-b][1]benzofuran (CID 130288485) is 9-bromo-7,7-dimethylfluoreno[2,3-b][1]benzofuran.
What is the SMILES notation for 9-bromo-7,7-dimethylfluoreno[2,3-b][1]benzofuran?
The canonical SMILES for 9-bromo-7,7-dimethylfluoreno[2,3-b][1]benzofuran is CC1(C)c2cc(Br)ccc2-c2cc3c(cc21)oc1ccccc13.
What is the InChIKey of 9-bromo-7,7-dimethylfluoreno[2,3-b][1]benzofuran?
The InChIKey is JUPTWHYRFVNBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15BrO/c1-21(2)17-9-12(22)7-8-13(17)15-10-16-14-5-3-4-6-19(14)23-20(16)11-18(15)21/h3-11H,1-2H3.
What are the key properties of 9-bromo-7,7-dimethylfluoreno[2,3-b][1]benzofuran?
9-bromo-7,7-dimethylfluoreno[2,3-b][1]benzofuran has a molecular weight of 363.25 g/mol, XLogP of 6.65, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-7,7-dimethylfluoreno[2,3-b][1]benzofuran is sourced from PubChem (CID 130288485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).