(7-borono-9,9-dimethylfluoren-2-yl)boronic acid

C15H16B2O4 — CID 24820467

IUPAC(7-borono-9,9-dimethylfluoren-2-yl)boronic acid
SMILESCC1(C)c2cc(B(O)O)ccc2-c2ccc(B(O)O)cc21
InChIInChI=1S/C15H16B2O4/c1-15(2)13-7-9(16(18)19)3-5-11(13)12-6-4-10(17(20)21)8-14(12)15/h3-8,18-21H,1-2H3
InChIKeyLUVUGOUOAXADNE-UHFFFAOYSA-N
MW281.91 g/mol
LogP-0.65
Rot. Bonds2

About (7-borono-9,9-dimethylfluoren-2-yl)boronic acid

(7-borono-9,9-dimethylfluoren-2-yl)boronic acid (PubChem CID 24820467) has the molecular formula C15H16B2O4 and a molecular weight of 281.91 g/mol. Its IUPAC name is (7-borono-9,9-dimethylfluoren-2-yl)boronic acid.

Molecular Properties

Compound Name(7-borono-9,9-dimethylfluoren-2-yl)boronic acid
PubChem CID24820467
Molecular FormulaC15H16B2O4
Molecular Weight281.91 g/mol
Exact Mass282.12
IUPAC Name(7-borono-9,9-dimethylfluoren-2-yl)boronic acid
SMILESCC1(C)c2cc(B(O)O)ccc2-c2ccc(B(O)O)cc21
InChIInChI=1S/C15H16B2O4/c1-15(2)13-7-9(16(18)19)3-5-11(13)12-6-4-10(17(20)21)8-14(12)15/h3-8,18-21H,1-2H3
InChIKeyLUVUGOUOAXADNE-UHFFFAOYSA-N
XLogP-0.65
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.91
LogP ≤ 5-0.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (7-borono-9,9-dimethylfluoren-2-yl)boronic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(7,9,9-trimethylfluoren-2-yl)boronic acid
CID 125469672
(5,5-dimethylindeno[1,2-c]pyridin-7-yl)boronic acid
CID 142724289
(7-borono-9,9-difluorofluoren-2-yl)boronic acid
CID 140844524
[9,9-dimethyl-7-(4-tritylphenyl)fluoren-2-yl]boronic acid
CID 142699767
[4-(9,9-dimethylfluoren-2-yl)phenyl]boronic acid
CID 59691054
(2'-borono-9,9'-spirobi[fluorene]-2-yl)boronic acid
CID 121230960
(9,9-dimethylthioxanthen-2-yl)boronic acid
CID 163509290
(9,9,10-trimethylacridin-2-yl)boronic acid
CID 161441175
(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)boronic acid
CID 10353857
[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]boronic acid
CID 90219546
(9,9-dimethylfluoren-2-yl)boronic acid;9,9-dimethyl-2-[2,4,5-tris(9,9-dimethylfluoren-2-yl)phenyl]fluorene;palladium;1,2,4,5-tetrabromobenzene;tetrakis(triphenylphosphane)
CID 158916826
[4-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]boronic acid;ethene
CID 144631341

Frequently Asked Questions

What is the IUPAC name of (7-borono-9,9-dimethylfluoren-2-yl)boronic acid?
The IUPAC name of (7-borono-9,9-dimethylfluoren-2-yl)boronic acid (CID 24820467) is (7-borono-9,9-dimethylfluoren-2-yl)boronic acid.
What is the SMILES notation for (7-borono-9,9-dimethylfluoren-2-yl)boronic acid?
The canonical SMILES for (7-borono-9,9-dimethylfluoren-2-yl)boronic acid is CC1(C)c2cc(B(O)O)ccc2-c2ccc(B(O)O)cc21.
What is the InChIKey of (7-borono-9,9-dimethylfluoren-2-yl)boronic acid?
The InChIKey is LUVUGOUOAXADNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16B2O4/c1-15(2)13-7-9(16(18)19)3-5-11(13)12-6-4-10(17(20)21)8-14(12)15/h3-8,18-21H,1-2H3.
What are the key properties of (7-borono-9,9-dimethylfluoren-2-yl)boronic acid?
(7-borono-9,9-dimethylfluoren-2-yl)boronic acid has a molecular weight of 281.91 g/mol, XLogP of -0.65, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-borono-9,9-dimethylfluoren-2-yl)boronic acid is sourced from PubChem (CID 24820467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).