2-(9H-fluoren-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C19H21BO2 — CID 148755386

IUPAC2-(9H-fluoren-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(c2cccc3c2-c2ccccc2C3)OC1(C)C
InChIInChI=1S/C19H21BO2/c1-18(2)19(3,4)22-20(21-18)16-11-7-9-14-12-13-8-5-6-10-15(13)17(14)16/h5-11H,12H2,1-4H3
InChIKeyOFMQDTGIQKEOCN-UHFFFAOYSA-N
MW292.19 g/mol
LogP3.56
Rot. Bonds1

About 2-(9H-fluoren-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(9H-fluoren-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 148755386) has the molecular formula C19H21BO2 and a molecular weight of 292.19 g/mol. Its IUPAC name is 2-(9H-fluoren-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(9H-fluoren-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID148755386
Molecular FormulaC19H21BO2
Molecular Weight292.19 g/mol
Exact Mass292.16
IUPAC Name2-(9H-fluoren-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(c2cccc3c2-c2ccccc2C3)OC1(C)C
InChIInChI=1S/C19H21BO2/c1-18(2)19(3,4)22-20(21-18)16-11-7-9-14-12-13-8-5-6-10-15(13)17(14)16/h5-11H,12H2,1-4H3
InChIKeyOFMQDTGIQKEOCN-UHFFFAOYSA-N
XLogP3.56
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.19
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4,4,5,5-tetramethyl-2-(4-nitro-9H-fluoren-1-yl)-1,3,2-dioxaborolane
CID 58757165
4,4,5,5-tetramethyl-2-spiro[cyclobutane-1,9'-fluorene]-4'-yl-1,3,2-dioxaborolane
CID 162519788
4,4,5,5-tetramethyl-2-[2-methyl-3-[2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-1,3,2-dioxaborolane
CID 140933550
4,4,5,5-tetramethyl-2-(9H-thioxanthen-1-yl)-1,3,2-dioxaborolane
CID 91546607
4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine
CID 155906180
2-[2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3H-isoindol-1-one
CID 66606460
9H-fluoren-4-ylboronic acid
CID 68786516
2-[2-(furan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 18525792
2-bromo-N-(2-bromo-4-phenylphenyl)-4-phenylaniline;16,24-diphenylpentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(21),2,4,6,8,10,12,14(19),15,17,22,24-dodecaene;4,4,5,5-tetramethyl-2-[2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-1,3,2-dioxaborolane
CID 160991656
ethene;9H-fluorene
CID 159544077
2-phenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
CID 67486374
4,4,5,5-tetramethyl-2-(5-naphthalen-1-yl-5-phenylbenzo[b][1]benzosilol-1-yl)-1,3,2-dioxaborolane
CID 155787068

Frequently Asked Questions

What is the IUPAC name of 2-(9H-fluoren-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-(9H-fluoren-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 148755386) is 2-(9H-fluoren-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(9H-fluoren-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-(9H-fluoren-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1(C)OB(c2cccc3c2-c2ccccc2C3)OC1(C)C.
What is the InChIKey of 2-(9H-fluoren-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is OFMQDTGIQKEOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BO2/c1-18(2)19(3,4)22-20(21-18)16-11-7-9-14-12-13-8-5-6-10-15(13)17(14)16/h5-11H,12H2,1-4H3.
What are the key properties of 2-(9H-fluoren-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-(9H-fluoren-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 292.19 g/mol, XLogP of 3.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9H-fluoren-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 148755386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).