methyl(diphenyl)borane

C13H13B — CID 596869

IUPACmethyl(diphenyl)borane
SMILESCB(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H13B/c1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3
InChIKeyVEBFPOZXKIIMQF-UHFFFAOYSA-N
MW180.06 g/mol
LogP1.93
Rot. Bonds2

About methyl(diphenyl)borane

methyl(diphenyl)borane (PubChem CID 596869) has the molecular formula C13H13B and a molecular weight of 180.06 g/mol. Its IUPAC name is methyl(diphenyl)borane.

Molecular Properties

Compound Namemethyl(diphenyl)borane
PubChem CID596869
Molecular FormulaC13H13B
Molecular Weight180.06 g/mol
Exact Mass180.11
IUPAC Namemethyl(diphenyl)borane
SMILESCB(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H13B/c1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3
InChIKeyVEBFPOZXKIIMQF-UHFFFAOYSA-N
XLogP1.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.06
LogP ≤ 51.93
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 methyl(diphenyl)borane?
The IUPAC name of methyl(diphenyl)borane (CID 596869) is methyl(diphenyl)borane.
What is the SMILES notation for methyl(diphenyl)borane?
The canonical SMILES for methyl(diphenyl)borane is CB(c1ccccc1)c1ccccc1.
What is the InChIKey of methyl(diphenyl)borane?
The InChIKey is VEBFPOZXKIIMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13B/c1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3.
What are the key properties of methyl(diphenyl)borane?
methyl(diphenyl)borane has a molecular weight of 180.06 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl(diphenyl)borane is sourced from PubChem (CID 596869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).