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

C27H23BO2 — CID 142721937

IUPAC[2-[2-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]boronic acid
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccccc3-c3ccccc3B(O)O)cc21
InChIInChI=1S/C27H23BO2/c1-27(2)24-13-7-5-11-21(24)22-16-15-18(17-25(22)27)19-9-3-4-10-20(19)23-12-6-8-14-26(23)28(29)30/h3-17,29-30H,1-2H3
InChIKeyOEDFQCOWGWLSJG-UHFFFAOYSA-N
MW390.29 g/mol
LogP5.01
Rot. Bonds3

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

[2-[2-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]boronic acid (PubChem CID 142721937) has the molecular formula C27H23BO2 and a molecular weight of 390.29 g/mol. Its IUPAC name is [2-[2-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]boronic acid.

Molecular Properties

Compound Name[2-[2-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]boronic acid
PubChem CID142721937
Molecular FormulaC27H23BO2
Molecular Weight390.29 g/mol
Exact Mass390.18
IUPAC Name[2-[2-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]boronic acid
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccccc3-c3ccccc3B(O)O)cc21
InChIInChI=1S/C27H23BO2/c1-27(2)24-13-7-5-11-21(24)22-16-15-18(17-25(22)27)19-9-3-4-10-20(19)23-12-6-8-14-26(23)28(29)30/h3-17,29-30H,1-2H3
InChIKeyOEDFQCOWGWLSJG-UHFFFAOYSA-N
XLogP5.01
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.29
LogP ≤ 55.01
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-(9,9-dimethylfluoren-2-yl)phenyl]boronic acid
CID 59691054
2-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-9,9-dimethylfluorene
CID 59133432
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-2-(2-methylphenyl)fluorene
CID 58389997
2-(9,9-dimethylfluoren-2-yl)-7-[7-[9,9-dimethyl-7-(2-naphthalen-1-ylphenyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 58881021
2-[4-[4-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]phenyl]phenyl]-9,9-dimethyl-7-(2-phenylphenyl)fluorene
CID 58880971
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
[2-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]boronic acid
CID 156900014
2-bromo-7-(4-methoxy-2-phenylphenyl)-9,9-dimethylfluorene;2-(4-methoxy-2-phenylphenyl)-9,9-dimethyl-7-(2-phenylphenyl)fluorene;(2-phenylphenyl)boronic acid
CID 161359304
3,9,9-trimethyl-2,7-bis(3,9,9-trimethylfluoren-2-yl)fluorene
CID 59782429

Frequently Asked Questions

What is the IUPAC name of [2-[2-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]boronic acid?
The IUPAC name of [2-[2-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]boronic acid (CID 142721937) is [2-[2-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]boronic acid.
What is the SMILES notation for [2-[2-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]boronic acid?
The canonical SMILES for [2-[2-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]boronic acid is CC1(C)c2ccccc2-c2ccc(-c3ccccc3-c3ccccc3B(O)O)cc21.
What is the InChIKey of [2-[2-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]boronic acid?
The InChIKey is OEDFQCOWGWLSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23BO2/c1-27(2)24-13-7-5-11-21(24)22-16-15-18(17-25(22)27)19-9-3-4-10-20(19)23-12-6-8-14-26(23)28(29)30/h3-17,29-30H,1-2H3.
What are the key properties of [2-[2-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]boronic acid?
[2-[2-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]boronic acid has a molecular weight of 390.29 g/mol, XLogP of 5.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]boronic acid is sourced from PubChem (CID 142721937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).