(9,9-diphenylfluoren-4-yl)boronic acid

C25H19BO2 — CID 119081433

IUPAC(9,9-diphenylfluoren-4-yl)boronic acid
SMILESOB(O)c1cccc2c1-c1ccccc1C2(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H19BO2/c27-26(28)23-17-9-16-22-24(23)20-14-7-8-15-21(20)25(22,18-10-3-1-4-11-18)19-12-5-2-6-13-19/h1-17,27-28H
InChIKeyMLFGWWZGBTYHTM-UHFFFAOYSA-N
MW362.24 g/mol
LogP3.73
Rot. Bonds3

About (9,9-diphenylfluoren-4-yl)boronic acid

(9,9-diphenylfluoren-4-yl)boronic acid (PubChem CID 119081433) has the molecular formula C25H19BO2 and a molecular weight of 362.24 g/mol. Its IUPAC name is (9,9-diphenylfluoren-4-yl)boronic acid.

Molecular Properties

Compound Name(9,9-diphenylfluoren-4-yl)boronic acid
PubChem CID119081433
Molecular FormulaC25H19BO2
Molecular Weight362.24 g/mol
Exact Mass362.15
IUPAC Name(9,9-diphenylfluoren-4-yl)boronic acid
SMILESOB(O)c1cccc2c1-c1ccccc1C2(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H19BO2/c27-26(28)23-17-9-16-22-24(23)20-14-7-8-15-21(20)25(22,18-10-3-1-4-11-18)19-12-5-2-6-13-19/h1-17,27-28H
InChIKeyMLFGWWZGBTYHTM-UHFFFAOYSA-N
XLogP3.73
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.24
LogP ≤ 53.73
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'-spirobi[fluorene]-4'-ylboronic acid
CID 71249292
(9,9-diphenylfluoren-4-yl)-diphenylborane
CID 123339306
4-methyl-9,9-diphenylfluorene
CID 123595050
spiro[fluorene-9,5'-indeno[1,2-c]pyridine]-4-ylboronic acid
CID 141481973
9,9,18,18,27,27-hexakis-phenylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
CID 59217347
9,9-diphenylfluorene;methane
CID 145331804
9,9-diphenylfluorene;methane
CID 145140147
4-methyl-9-(2-methylphenyl)-9-phenylfluorene
CID 145360950
9,9-diphenylfluorene;methoxymethane
CID 143139467
9,9-diphenylfluorene;propane
CID 158205050
N,N-diethyl-9,9-diphenylfluoren-4-amine;ethane
CID 161344011
bis(9,9-diphenylfluorene);ethane;propane
CID 144938803

Frequently Asked Questions

What is the IUPAC name of (9,9-diphenylfluoren-4-yl)boronic acid?
The IUPAC name of (9,9-diphenylfluoren-4-yl)boronic acid (CID 119081433) is (9,9-diphenylfluoren-4-yl)boronic acid.
What is the SMILES notation for (9,9-diphenylfluoren-4-yl)boronic acid?
The canonical SMILES for (9,9-diphenylfluoren-4-yl)boronic acid is OB(O)c1cccc2c1-c1ccccc1C2(c1ccccc1)c1ccccc1.
What is the InChIKey of (9,9-diphenylfluoren-4-yl)boronic acid?
The InChIKey is MLFGWWZGBTYHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19BO2/c27-26(28)23-17-9-16-22-24(23)20-14-7-8-15-21(20)25(22,18-10-3-1-4-11-18)19-12-5-2-6-13-19/h1-17,27-28H.
What are the key properties of (9,9-diphenylfluoren-4-yl)boronic acid?
(9,9-diphenylfluoren-4-yl)boronic acid has a molecular weight of 362.24 g/mol, XLogP of 3.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9,9-diphenylfluoren-4-yl)boronic acid is sourced from PubChem (CID 119081433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).