9,9'-spirobi[fluorene]-4'-ylboronic acid

C25H17BO2 — CID 71249292

IUPAC9,9'-spirobi[fluorene]-4'-ylboronic acid
SMILESOB(O)c1cccc2c1-c1ccccc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C25H17BO2/c27-26(28)23-15-7-14-22-24(23)18-10-3-6-13-21(18)25(22)19-11-4-1-8-16(19)17-9-2-5-12-20(17)25/h1-15,27-28H
InChIKeyNOTKALFQBCUAKB-UHFFFAOYSA-N
MW360.22 g/mol
LogP3.71
Rot. Bonds1

About 9,9'-spirobi[fluorene]-4'-ylboronic acid

9,9'-spirobi[fluorene]-4'-ylboronic acid (PubChem CID 71249292) has the molecular formula C25H17BO2 and a molecular weight of 360.22 g/mol. Its IUPAC name is 9,9'-spirobi[fluorene]-4'-ylboronic acid.

Molecular Properties

Compound Name9,9'-spirobi[fluorene]-4'-ylboronic acid
PubChem CID71249292
Molecular FormulaC25H17BO2
Molecular Weight360.22 g/mol
Exact Mass360.13
IUPAC Name9,9'-spirobi[fluorene]-4'-ylboronic acid
SMILESOB(O)c1cccc2c1-c1ccccc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C25H17BO2/c27-26(28)23-15-7-14-22-24(23)18-10-3-6-13-21(18)25(22)19-11-4-1-8-16(19)17-9-2-5-12-20(17)25/h1-15,27-28H
InChIKeyNOTKALFQBCUAKB-UHFFFAOYSA-N
XLogP3.71
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.22
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(9,9-diphenylfluoren-4-yl)boronic acid
CID 119081433
spiro[fluorene-9,5'-indeno[1,2-c]pyridine]-4-ylboronic acid
CID 141481973
4'-methyl-9,9'-spirobi[fluorene]
CID 91359179
(7-chlorospiro[fluorene-9,9'-thioxanthene]-4-yl)boronic acid
CID 167364646
spiro[fluorene-9,9'-thioxanthene]-4'-ylboronic acid
CID 151126427
CID 102532137
CID 102532137
[2-(2-spiro[fluorene-9,7'-indeno[1,2-a]carbazole]-12'-ylphenyl)phenyl]boronic acid
CID 123923323
(7-cyanospiro[fluorene-9,9'-thioxanthene]-4-yl)boronic acid
CID 171588909
bis(9,9'-spirobi[fluorene]-4'-yl)methanone
CID 90059622
4-bromospiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]
CID 121391692
(9,9-diphenylfluoren-4-yl)-diphenylborane
CID 123339306
(2'-borono-9,9'-spirobi[fluorene]-2-yl)boronic acid
CID 121230960

Frequently Asked Questions

What is the IUPAC name of 9,9'-spirobi[fluorene]-4'-ylboronic acid?
The IUPAC name of 9,9'-spirobi[fluorene]-4'-ylboronic acid (CID 71249292) is 9,9'-spirobi[fluorene]-4'-ylboronic acid.
What is the SMILES notation for 9,9'-spirobi[fluorene]-4'-ylboronic acid?
The canonical SMILES for 9,9'-spirobi[fluorene]-4'-ylboronic acid is OB(O)c1cccc2c1-c1ccccc1C21c2ccccc2-c2ccccc21.
What is the InChIKey of 9,9'-spirobi[fluorene]-4'-ylboronic acid?
The InChIKey is NOTKALFQBCUAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17BO2/c27-26(28)23-15-7-14-22-24(23)18-10-3-6-13-21(18)25(22)19-11-4-1-8-16(19)17-9-2-5-12-20(17)25/h1-15,27-28H.
What are the key properties of 9,9'-spirobi[fluorene]-4'-ylboronic acid?
9,9'-spirobi[fluorene]-4'-ylboronic acid has a molecular weight of 360.22 g/mol, XLogP of 3.71, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9'-spirobi[fluorene]-4'-ylboronic acid is sourced from PubChem (CID 71249292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).