tris(4-ethylphenyl)borane

C24H27B — CID 12610841

IUPACtris(4-ethylphenyl)borane
SMILESCCc1ccc(B(c2ccc(CC)cc2)c2ccc(CC)cc2)cc1
InChIInChI=1S/C24H27B/c1-4-19-7-13-22(14-8-19)25(23-15-9-20(5-2)10-16-23)24-17-11-21(6-3)12-18-24/h7-18H,4-6H2,1-3H3
InChIKeyUXUQNLMCEKUBPA-UHFFFAOYSA-N
MW326.29 g/mol
LogP3.89
Rot. Bonds6

About tris(4-ethylphenyl)borane

tris(4-ethylphenyl)borane (PubChem CID 12610841) has the molecular formula C24H27B and a molecular weight of 326.29 g/mol. Its IUPAC name is tris(4-ethylphenyl)borane.

Molecular Properties

Compound Nametris(4-ethylphenyl)borane
PubChem CID12610841
Molecular FormulaC24H27B
Molecular Weight326.29 g/mol
Exact Mass326.22
IUPAC Nametris(4-ethylphenyl)borane
SMILESCCc1ccc(B(c2ccc(CC)cc2)c2ccc(CC)cc2)cc1
InChIInChI=1S/C24H27B/c1-4-19-7-13-22(14-8-19)25(23-15-9-20(5-2)10-16-23)24-17-11-21(6-3)12-18-24/h7-18H,4-6H2,1-3H3
InChIKeyUXUQNLMCEKUBPA-UHFFFAOYSA-N
XLogP3.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.29
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

dichloro-(4-ethylphenyl)borane
CID 131853911
1,4-diethylbenzene;ethane
CID 91207141
alumane;1,4-diethylbenzene
CID 174296012
(4-ethylphenyl)-dipropylborane
CID 143880159
1,4-diethylbenzene;ethane;methane
CID 166131756
1,4-diethylbenzene;oxoalumane
CID 174317758
1-ethyl-4-[2-[4-[2-[4-[2-[4-[2-[4-[2-(4-ethylphenyl)ethyl]phenyl]ethyl]phenyl]ethyl]phenyl]ethyl]phenyl]ethyl]benzene
CID 102370536
(4-ethylphenyl)boronic acid;octane
CID 165134887
1-ethyl-4-methylbenzene;propane
CID 144580802
CID 57436075
CID 57436075
bis(1-ethyl-4-methylbenzene);hydrate
CID 175281588
1,4-diethylbenzene;heptane
CID 175370860

Frequently Asked Questions

What is the IUPAC name of tris(4-ethylphenyl)borane?
The IUPAC name of tris(4-ethylphenyl)borane (CID 12610841) is tris(4-ethylphenyl)borane.
What is the SMILES notation for tris(4-ethylphenyl)borane?
The canonical SMILES for tris(4-ethylphenyl)borane is CCc1ccc(B(c2ccc(CC)cc2)c2ccc(CC)cc2)cc1.
What is the InChIKey of tris(4-ethylphenyl)borane?
The InChIKey is UXUQNLMCEKUBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27B/c1-4-19-7-13-22(14-8-19)25(23-15-9-20(5-2)10-16-23)24-17-11-21(6-3)12-18-24/h7-18H,4-6H2,1-3H3.
What are the key properties of tris(4-ethylphenyl)borane?
tris(4-ethylphenyl)borane has a molecular weight of 326.29 g/mol, XLogP of 3.89, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(4-ethylphenyl)borane is sourced from PubChem (CID 12610841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).