(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)boronic acid

C21H17BO3 — CID 123442682

IUPAC(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)boronic acid
SMILESCC1(C)c2ccccc2-c2c1ccc1c2oc2c(B(O)O)cccc21
InChIInChI=1S/C21H17BO3/c1-21(2)15-8-4-3-6-14(15)18-16(21)11-10-13-12-7-5-9-17(22(23)24)19(12)25-20(13)18/h3-11,23-24H,1-2H3
InChIKeyQCHWBIDCEJAROF-UHFFFAOYSA-N
MW328.18 g/mol
LogP3.57
Rot. Bonds1

About (7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)boronic acid

(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)boronic acid (PubChem CID 123442682) has the molecular formula C21H17BO3 and a molecular weight of 328.18 g/mol. Its IUPAC name is (7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)boronic acid.

Molecular Properties

Compound Name(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)boronic acid
PubChem CID123442682
Molecular FormulaC21H17BO3
Molecular Weight328.18 g/mol
Exact Mass328.13
IUPAC Name(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)boronic acid
SMILESCC1(C)c2ccccc2-c2c1ccc1c2oc2c(B(O)O)cccc21
InChIInChI=1S/C21H17BO3/c1-21(2)15-8-4-3-6-14(15)18-16(21)11-10-13-12-7-5-9-17(22(23)24)19(12)25-20(13)18/h3-11,23-24H,1-2H3
InChIKeyQCHWBIDCEJAROF-UHFFFAOYSA-N
XLogP3.57
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.18
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

CID 147342280
CID 147342280
3-carbazol-9-yl-2-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)benzonitrile
CID 126582543
9-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]carbazole
CID 118099209
4-methoxy-7,7-dimethylfluoreno[4,3-b][1]benzofuran
CID 169035230
7,7-dimethyl-N-naphthalen-1-yl-N-phenylfluoreno[4,3-b][1]benzofuran-1-amine
CID 118405099
9,9-dimethyl-16-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]-24-oxahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
CID 130186143
15-chloro-9,9-dimethyl-24-oxahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
CID 155005086
N-(9,9-dimethylfluoren-4-yl)-7,7-dimethyl-N-naphthalen-2-ylfluoreno[4,3-b][1]benzofuran-1-amine
CID 142515804
2-(4-bromophenyl)-4,6-diphenyl-1,3,5-triazine;(12,12-dimethylfluoreno[1,2-b][1]benzofuran-10-yl)boronic acid;2-[4-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-10-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 162176820
3-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-6,9-diphenylcarbazole
CID 118099217
5-bromo-7,7-dimethylfluoreno[4,3-b][1]benzofuran;7,7-dimethylfluoreno[4,3-b][1]benzofuran
CID 157381043
17,17,34,34-tetramethyl-6,23-dioxanonacyclo[18.14.0.03,18.04,16.05,13.07,12.021,33.022,30.024,29]tetratriaconta-1(20),2,4(16),5(13),7,9,11,14,18,21(33),22(30),24,26,28,31-pentadecaene
CID 58261464

Frequently Asked Questions

What is the IUPAC name of (7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)boronic acid?
The IUPAC name of (7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)boronic acid (CID 123442682) is (7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)boronic acid.
What is the SMILES notation for (7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)boronic acid?
The canonical SMILES for (7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)boronic acid is CC1(C)c2ccccc2-c2c1ccc1c2oc2c(B(O)O)cccc21.
What is the InChIKey of (7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)boronic acid?
The InChIKey is QCHWBIDCEJAROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17BO3/c1-21(2)15-8-4-3-6-14(15)18-16(21)11-10-13-12-7-5-9-17(22(23)24)19(12)25-20(13)18/h3-11,23-24H,1-2H3.
What are the key properties of (7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)boronic acid?
(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)boronic acid has a molecular weight of 328.18 g/mol, XLogP of 3.57, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)boronic acid is sourced from PubChem (CID 123442682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).