[4-(4-dimethylboranylphenyl)phenyl]-dimethylborane

C16H20B2 — CID 21029034

IUPAC[4-(4-dimethylboranylphenyl)phenyl]-dimethylborane
SMILESCB(C)c1ccc(-c2ccc(B(C)C)cc2)cc1
InChIInChI=1S/C16H20B2/c1-17(2)15-9-5-13(6-10-15)14-7-11-16(12-8-14)18(3)4/h5-12H,1-4H3
InChIKeyOEBZXCIVVURYHA-UHFFFAOYSA-N
MW233.96 g/mol
LogP3.28
Rot. Bonds3

About [4-(4-dimethylboranylphenyl)phenyl]-dimethylborane

[4-(4-dimethylboranylphenyl)phenyl]-dimethylborane (PubChem CID 21029034) has the molecular formula C16H20B2 and a molecular weight of 233.96 g/mol. Its IUPAC name is [4-(4-dimethylboranylphenyl)phenyl]-dimethylborane.

Molecular Properties

Compound Name[4-(4-dimethylboranylphenyl)phenyl]-dimethylborane
PubChem CID21029034
Molecular FormulaC16H20B2
Molecular Weight233.96 g/mol
Exact Mass234.18
IUPAC Name[4-(4-dimethylboranylphenyl)phenyl]-dimethylborane
SMILESCB(C)c1ccc(-c2ccc(B(C)C)cc2)cc1
InChIInChI=1S/C16H20B2/c1-17(2)15-9-5-13(6-10-15)14-7-11-16(12-8-14)18(3)4/h5-12H,1-4H3
InChIKeyOEBZXCIVVURYHA-UHFFFAOYSA-N
XLogP3.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.96
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-(4-dimethylboranylphenyl)phenyl]-dimethylborane?
The IUPAC name of [4-(4-dimethylboranylphenyl)phenyl]-dimethylborane (CID 21029034) is [4-(4-dimethylboranylphenyl)phenyl]-dimethylborane.
What is the SMILES notation for [4-(4-dimethylboranylphenyl)phenyl]-dimethylborane?
The canonical SMILES for [4-(4-dimethylboranylphenyl)phenyl]-dimethylborane is CB(C)c1ccc(-c2ccc(B(C)C)cc2)cc1.
What is the InChIKey of [4-(4-dimethylboranylphenyl)phenyl]-dimethylborane?
The InChIKey is OEBZXCIVVURYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20B2/c1-17(2)15-9-5-13(6-10-15)14-7-11-16(12-8-14)18(3)4/h5-12H,1-4H3.
What are the key properties of [4-(4-dimethylboranylphenyl)phenyl]-dimethylborane?
[4-(4-dimethylboranylphenyl)phenyl]-dimethylborane has a molecular weight of 233.96 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-dimethylboranylphenyl)phenyl]-dimethylborane is sourced from PubChem (CID 21029034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).