(7,8-dioctyl-9H-fluoren-2-yl)boronic acid

C29H43BO2 — CID 141103230

IUPAC(7,8-dioctyl-9H-fluoren-2-yl)boronic acid
SMILESCCCCCCCCc1ccc2c(c1CCCCCCCC)Cc1cc(B(O)O)ccc1-2
InChIInChI=1S/C29H43BO2/c1-3-5-7-9-11-13-15-23-17-19-28-27-20-18-25(30(31)32)21-24(27)22-29(28)26(23)16-14-12-10-8-6-4-2/h17-21,31-32H,3-16,22H2,1-2H3
InChIKeyQEOMHZROHZDEFU-UHFFFAOYSA-N
MW434.47 g/mol
LogP6.74
Rot. Bonds15

About (7,8-dioctyl-9H-fluoren-2-yl)boronic acid

(7,8-dioctyl-9H-fluoren-2-yl)boronic acid (PubChem CID 141103230) has the molecular formula C29H43BO2 and a molecular weight of 434.47 g/mol. Its IUPAC name is (7,8-dioctyl-9H-fluoren-2-yl)boronic acid.

Molecular Properties

Compound Name(7,8-dioctyl-9H-fluoren-2-yl)boronic acid
PubChem CID141103230
Molecular FormulaC29H43BO2
Molecular Weight434.47 g/mol
Exact Mass434.34
IUPAC Name(7,8-dioctyl-9H-fluoren-2-yl)boronic acid
SMILESCCCCCCCCc1ccc2c(c1CCCCCCCC)Cc1cc(B(O)O)ccc1-2
InChIInChI=1S/C29H43BO2/c1-3-5-7-9-11-13-15-23-17-19-28-27-20-18-25(30(31)32)21-24(27)22-29(28)26(23)16-14-12-10-8-6-4-2/h17-21,31-32H,3-16,22H2,1-2H3
InChIKeyQEOMHZROHZDEFU-UHFFFAOYSA-N
XLogP6.74
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.47
LogP ≤ 56.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,2-dihexyl-9H-fluorene
CID 22141601
1-butyl-2-decyl-9H-fluorene
CID 151429799
1,2-dioctyl-9H-fluorene;thiophene
CID 174653713
acetic acid;(7-chloro-2-octacosyl-9H-fluoren-1-yl)methanol
CID 175103428
(3-iodo-4-octylphenyl)boronic acid
CID 153325549
(3-fluoro-4-nonylphenyl)boronic acid
CID 66879918
7-bromo-2-hexyl-1-[2,3,4,5,6-pentakis(7-bromo-2-hexyl-9H-fluoren-1-yl)phenyl]-9H-fluorene
CID 141308541
2-(9H-fluoren-1-yl)-3-heptyl-4-pentylphenol
CID 150413225
2-(9H-fluoren-1-yl)-3,4-dioctylphenol
CID 151912824
1,2-bis(6-bromohexyl)-9H-fluorene
CID 172692386
4-butyl-2-(9H-fluoren-1-yl)-3-octylphenol
CID 150998835
1-hexyl-9H-fluoren-2-amine
CID 57359668

Frequently Asked Questions

What is the IUPAC name of (7,8-dioctyl-9H-fluoren-2-yl)boronic acid?
The IUPAC name of (7,8-dioctyl-9H-fluoren-2-yl)boronic acid (CID 141103230) is (7,8-dioctyl-9H-fluoren-2-yl)boronic acid.
What is the SMILES notation for (7,8-dioctyl-9H-fluoren-2-yl)boronic acid?
The canonical SMILES for (7,8-dioctyl-9H-fluoren-2-yl)boronic acid is CCCCCCCCc1ccc2c(c1CCCCCCCC)Cc1cc(B(O)O)ccc1-2.
What is the InChIKey of (7,8-dioctyl-9H-fluoren-2-yl)boronic acid?
The InChIKey is QEOMHZROHZDEFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H43BO2/c1-3-5-7-9-11-13-15-23-17-19-28-27-20-18-25(30(31)32)21-24(27)22-29(28)26(23)16-14-12-10-8-6-4-2/h17-21,31-32H,3-16,22H2,1-2H3.
What are the key properties of (7,8-dioctyl-9H-fluoren-2-yl)boronic acid?
(7,8-dioctyl-9H-fluoren-2-yl)boronic acid has a molecular weight of 434.47 g/mol, XLogP of 6.74, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7,8-dioctyl-9H-fluoren-2-yl)boronic acid is sourced from PubChem (CID 141103230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).