[4-(9,9-dimethylfluoren-2-yl)phenyl]boronic acid

C21H19BO2 — CID 59691054

IUPAC[4-(9,9-dimethylfluoren-2-yl)phenyl]boronic acid
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(B(O)O)cc3)cc21
InChIInChI=1S/C21H19BO2/c1-21(2)19-6-4-3-5-17(19)18-12-9-15(13-20(18)21)14-7-10-16(11-8-14)22(23)24/h3-13,23-24H,1-2H3
InChIKeyFSMWZBLRBKQMOS-UHFFFAOYSA-N
MW314.19 g/mol
LogP3.34
Rot. Bonds2

About [4-(9,9-dimethylfluoren-2-yl)phenyl]boronic acid

[4-(9,9-dimethylfluoren-2-yl)phenyl]boronic acid (PubChem CID 59691054) has the molecular formula C21H19BO2 and a molecular weight of 314.19 g/mol. Its IUPAC name is [4-(9,9-dimethylfluoren-2-yl)phenyl]boronic acid.

Molecular Properties

Compound Name[4-(9,9-dimethylfluoren-2-yl)phenyl]boronic acid
PubChem CID59691054
Molecular FormulaC21H19BO2
Molecular Weight314.19 g/mol
Exact Mass314.15
IUPAC Name[4-(9,9-dimethylfluoren-2-yl)phenyl]boronic acid
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(B(O)O)cc3)cc21
InChIInChI=1S/C21H19BO2/c1-21(2)19-6-4-3-5-17(19)18-12-9-15(13-20(18)21)14-7-10-16(11-8-14)22(23)24/h3-13,23-24H,1-2H3
InChIKeyFSMWZBLRBKQMOS-UHFFFAOYSA-N
XLogP3.34
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.19
LogP ≤ 53.34
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

[4-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]boronic acid;ethene
CID 144631341
2-[3,5-bis[7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 101336380
2,7-bis[3,5-bis[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-9,9-dimethylfluorene
CID 58881238
[9,9-dimethyl-7-(4-tritylphenyl)fluoren-2-yl]boronic acid
CID 142699767
[2-[2-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]boronic acid
CID 142721937
6,6,12,12-tetramethyl-2-(4-methylphenyl)indeno[1,2-b]fluorene
CID 144585061
CID 143619792
CID 143619792
2-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-9,9-dimethylfluorene
CID 59133445
2-[6-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]naphthalen-2-yl]-9,9-dimethylfluorene
CID 58351434
N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline
CID 59757697
ethane;6,6,12,12-tetramethyl-2-(4-methylphenyl)indeno[1,2-b]fluorene
CID 144585060
2-(9,9-dimethylfluoren-2-yl)-7-[7-[7-[7-[9,9-dimethyl-7-(4-naphthalen-2-ylphenyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 123392580

Frequently Asked Questions

What is the IUPAC name of [4-(9,9-dimethylfluoren-2-yl)phenyl]boronic acid?
The IUPAC name of [4-(9,9-dimethylfluoren-2-yl)phenyl]boronic acid (CID 59691054) is [4-(9,9-dimethylfluoren-2-yl)phenyl]boronic acid.
What is the SMILES notation for [4-(9,9-dimethylfluoren-2-yl)phenyl]boronic acid?
The canonical SMILES for [4-(9,9-dimethylfluoren-2-yl)phenyl]boronic acid is CC1(C)c2ccccc2-c2ccc(-c3ccc(B(O)O)cc3)cc21.
What is the InChIKey of [4-(9,9-dimethylfluoren-2-yl)phenyl]boronic acid?
The InChIKey is FSMWZBLRBKQMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19BO2/c1-21(2)19-6-4-3-5-17(19)18-12-9-15(13-20(18)21)14-7-10-16(11-8-14)22(23)24/h3-13,23-24H,1-2H3.
What are the key properties of [4-(9,9-dimethylfluoren-2-yl)phenyl]boronic acid?
[4-(9,9-dimethylfluoren-2-yl)phenyl]boronic acid has a molecular weight of 314.19 g/mol, XLogP of 3.34, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(9,9-dimethylfluoren-2-yl)phenyl]boronic acid is sourced from PubChem (CID 59691054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).