spiro[fluorene-9,5'-indeno[1,2-c]pyridine]-4-ylboronic acid

C24H16BNO2 — CID 141481973

IUPACspiro[fluorene-9,5'-indeno[1,2-c]pyridine]-4-ylboronic acid
SMILESOB(O)c1cccc2c1-c1ccccc1C21c2ccccc2-c2cnccc21
InChIInChI=1S/C24H16BNO2/c27-25(28)22-11-5-10-21-23(22)16-7-2-4-9-19(16)24(21)18-8-3-1-6-15(18)17-14-26-13-12-20(17)24/h1-14,27-28H
InChIKeyYBPNYBTYACDYPX-UHFFFAOYSA-N
MW361.21 g/mol
LogP3.10
Rot. Bonds1

About spiro[fluorene-9,5'-indeno[1,2-c]pyridine]-4-ylboronic acid

spiro[fluorene-9,5'-indeno[1,2-c]pyridine]-4-ylboronic acid (PubChem CID 141481973) has the molecular formula C24H16BNO2 and a molecular weight of 361.21 g/mol. Its IUPAC name is spiro[fluorene-9,5'-indeno[1,2-c]pyridine]-4-ylboronic acid.

Molecular Properties

Compound Namespiro[fluorene-9,5'-indeno[1,2-c]pyridine]-4-ylboronic acid
PubChem CID141481973
Molecular FormulaC24H16BNO2
Molecular Weight361.21 g/mol
Exact Mass361.13
IUPAC Namespiro[fluorene-9,5'-indeno[1,2-c]pyridine]-4-ylboronic acid
SMILESOB(O)c1cccc2c1-c1ccccc1C21c2ccccc2-c2cnccc21
InChIInChI=1S/C24H16BNO2/c27-25(28)22-11-5-10-21-23(22)16-7-2-4-9-19(16)24(21)18-8-3-1-6-15(18)17-14-26-13-12-20(17)24/h1-14,27-28H
InChIKeyYBPNYBTYACDYPX-UHFFFAOYSA-N
XLogP3.10
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.21
LogP ≤ 53.10
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

9,9'-spirobi[fluorene]-4'-ylboronic acid
CID 71249292
(9,9-diphenylfluoren-4-yl)boronic acid
CID 119081433
indeno[3,2-c]pyridine-5,5-diol
CID 101389053
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
(5,5-dimethylindeno[1,2-c]pyridin-7-yl)boronic acid
CID 142724289
4,6-dimethyl-2-[4'-(3-methyl-4-pyridinyl)-9,9'-spirobi[fluorene]-3-yl]pyrimidine
CID 167364469

Frequently Asked Questions

What is the IUPAC name of spiro[fluorene-9,5'-indeno[1,2-c]pyridine]-4-ylboronic acid?
The IUPAC name of spiro[fluorene-9,5'-indeno[1,2-c]pyridine]-4-ylboronic acid (CID 141481973) is spiro[fluorene-9,5'-indeno[1,2-c]pyridine]-4-ylboronic acid.
What is the SMILES notation for spiro[fluorene-9,5'-indeno[1,2-c]pyridine]-4-ylboronic acid?
The canonical SMILES for spiro[fluorene-9,5'-indeno[1,2-c]pyridine]-4-ylboronic acid is OB(O)c1cccc2c1-c1ccccc1C21c2ccccc2-c2cnccc21.
What is the InChIKey of spiro[fluorene-9,5'-indeno[1,2-c]pyridine]-4-ylboronic acid?
The InChIKey is YBPNYBTYACDYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16BNO2/c27-25(28)22-11-5-10-21-23(22)16-7-2-4-9-19(16)24(21)18-8-3-1-6-15(18)17-14-26-13-12-20(17)24/h1-14,27-28H.
What are the key properties of spiro[fluorene-9,5'-indeno[1,2-c]pyridine]-4-ylboronic acid?
spiro[fluorene-9,5'-indeno[1,2-c]pyridine]-4-ylboronic acid has a molecular weight of 361.21 g/mol, XLogP of 3.10, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[fluorene-9,5'-indeno[1,2-c]pyridine]-4-ylboronic acid is sourced from PubChem (CID 141481973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).