1-phenyl-4H-borinine

C11H11B — CID 23322307

IUPAC1-phenyl-4H-borinine
SMILESC1=CB(c2ccccc2)C=CC1
InChIInChI=1S/C11H11B/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1,3-10H,2H2
InChIKeyFEYPEDKPQYBDKG-UHFFFAOYSA-N
MW154.02 g/mol
LogP1.98
Rot. Bonds1

About 1-phenyl-4H-borinine

1-phenyl-4H-borinine (PubChem CID 23322307) has the molecular formula C11H11B and a molecular weight of 154.02 g/mol. Its IUPAC name is 1-phenyl-4H-borinine.

Molecular Properties

Compound Name1-phenyl-4H-borinine
PubChem CID23322307
Molecular FormulaC11H11B
Molecular Weight154.02 g/mol
Exact Mass154.10
IUPAC Name1-phenyl-4H-borinine
SMILESC1=CB(c2ccccc2)C=CC1
InChIInChI=1S/C11H11B/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1,3-10H,2H2
InChIKeyFEYPEDKPQYBDKG-UHFFFAOYSA-N
XLogP1.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.02
LogP ≤ 51.98
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 1-phenyl-4H-borinine?
The IUPAC name of 1-phenyl-4H-borinine (CID 23322307) is 1-phenyl-4H-borinine.
What is the SMILES notation for 1-phenyl-4H-borinine?
The canonical SMILES for 1-phenyl-4H-borinine is C1=CB(c2ccccc2)C=CC1.
What is the InChIKey of 1-phenyl-4H-borinine?
The InChIKey is FEYPEDKPQYBDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11B/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1,3-10H,2H2.
What are the key properties of 1-phenyl-4H-borinine?
1-phenyl-4H-borinine has a molecular weight of 154.02 g/mol, XLogP of 1.98, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4H-borinine is sourced from PubChem (CID 23322307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).