(2'-borono-9,9'-spirobi[fluorene]-2-yl)boronic acid

C25H18B2O4 — CID 121230960

IUPAC(2'-borono-9,9'-spirobi[fluorene]-2-yl)boronic acid
SMILESOB(O)c1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2-c2ccc(B(O)O)cc21
InChIInChI=1S/C25H18B2O4/c28-26(29)15-9-11-19-17-5-1-3-7-21(17)25(23(19)13-15)22-8-4-2-6-18(22)20-12-10-16(27(30)31)14-24(20)25/h1-14,28-31H
InChIKeyDFILURRLHYVTKW-UHFFFAOYSA-N
MW404.04 g/mol
LogP1.39
Rot. Bonds2

About (2'-borono-9,9'-spirobi[fluorene]-2-yl)boronic acid

(2'-borono-9,9'-spirobi[fluorene]-2-yl)boronic acid (PubChem CID 121230960) has the molecular formula C25H18B2O4 and a molecular weight of 404.04 g/mol. Its IUPAC name is (2'-borono-9,9'-spirobi[fluorene]-2-yl)boronic acid.

Molecular Properties

Compound Name(2'-borono-9,9'-spirobi[fluorene]-2-yl)boronic acid
PubChem CID121230960
Molecular FormulaC25H18B2O4
Molecular Weight404.04 g/mol
Exact Mass404.14
IUPAC Name(2'-borono-9,9'-spirobi[fluorene]-2-yl)boronic acid
SMILESOB(O)c1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2-c2ccc(B(O)O)cc21
InChIInChI=1S/C25H18B2O4/c28-26(29)15-9-11-19-17-5-1-3-7-21(17)25(23(19)13-15)22-8-4-2-6-18(22)20-12-10-16(27(30)31)14-24(20)25/h1-14,28-31H
InChIKeyDFILURRLHYVTKW-UHFFFAOYSA-N
XLogP1.39
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.04
LogP ≤ 51.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

spiro[benzo[a]phenalene-7,9'-fluorene]-10-ylboronic acid
CID 140780247
[4-(N-(9,9-diphenylfluoren-2-yl)anilino)phenyl]boronic acid
CID 123393437
(9,9-dicyclopentylfluoren-2-yl)boronic acid
CID 86036873
(7-borono-9,9-difluorofluoren-2-yl)boronic acid
CID 140844524
(7-borono-9,9-dimethylfluoren-2-yl)boronic acid
CID 24820467
4-bromo-N,N,2-triphenylaniline;9,9'-spirobi[fluorene]-2-ylboronic acid;N,N,2-triphenylaniline;N,N,2-triphenyl-4-(9,9'-spirobi[fluorene]-2-yl)aniline
CID 159424802
2,2',7'-trimethyl-9,9'-spirobi[fluorene]
CID 20807057
CID 147413538
CID 147413538
2',7'-dibromo-9,9'-spirobi[fluorene]
CID 15544767
2-[2,3,4,5,6-pentakis(9,9'-spirobi[fluorene]-2-yl)phenyl]-9,9'-spirobi[fluorene]
CID 101469787
[4-(9,9-dimethylfluoren-2-yl)phenyl]boronic acid
CID 59691054
9,9'-spirobi[fluorene]-2-ylphosphinous acid
CID 166990702

Frequently Asked Questions

What is the IUPAC name of (2'-borono-9,9'-spirobi[fluorene]-2-yl)boronic acid?
The IUPAC name of (2'-borono-9,9'-spirobi[fluorene]-2-yl)boronic acid (CID 121230960) is (2'-borono-9,9'-spirobi[fluorene]-2-yl)boronic acid.
What is the SMILES notation for (2'-borono-9,9'-spirobi[fluorene]-2-yl)boronic acid?
The canonical SMILES for (2'-borono-9,9'-spirobi[fluorene]-2-yl)boronic acid is OB(O)c1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2-c2ccc(B(O)O)cc21.
What is the InChIKey of (2'-borono-9,9'-spirobi[fluorene]-2-yl)boronic acid?
The InChIKey is DFILURRLHYVTKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18B2O4/c28-26(29)15-9-11-19-17-5-1-3-7-21(17)25(23(19)13-15)22-8-4-2-6-18(22)20-12-10-16(27(30)31)14-24(20)25/h1-14,28-31H.
What are the key properties of (2'-borono-9,9'-spirobi[fluorene]-2-yl)boronic acid?
(2'-borono-9,9'-spirobi[fluorene]-2-yl)boronic acid has a molecular weight of 404.04 g/mol, XLogP of 1.39, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2'-borono-9,9'-spirobi[fluorene]-2-yl)boronic acid is sourced from PubChem (CID 121230960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).