azido(diphenyl)borane

C12H10BN3 — CID 5326251

IUPACazido(diphenyl)borane
SMILES[N-]=[N+]=NB(c1ccccc1)c1ccccc1
InChIInChI=1S/C12H10BN3/c14-16-15-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
InChIKeyOIQMKWGYLILBKD-UHFFFAOYSA-N
MW207.05 g/mol
LogP2.10
Rot. Bonds3

About azido(diphenyl)borane

azido(diphenyl)borane (PubChem CID 5326251) has the molecular formula C12H10BN3 and a molecular weight of 207.05 g/mol. Its IUPAC name is azido(diphenyl)borane.

Molecular Properties

Compound Nameazido(diphenyl)borane
PubChem CID5326251
Molecular FormulaC12H10BN3
Molecular Weight207.05 g/mol
Exact Mass207.10
IUPAC Nameazido(diphenyl)borane
SMILES[N-]=[N+]=NB(c1ccccc1)c1ccccc1
InChIInChI=1S/C12H10BN3/c14-16-15-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
InChIKeyOIQMKWGYLILBKD-UHFFFAOYSA-N
XLogP2.10
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.05
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of azido(diphenyl)borane?
The IUPAC name of azido(diphenyl)borane (CID 5326251) is azido(diphenyl)borane.
What is the SMILES notation for azido(diphenyl)borane?
The canonical SMILES for azido(diphenyl)borane is [N-]=[N+]=NB(c1ccccc1)c1ccccc1.
What is the InChIKey of azido(diphenyl)borane?
The InChIKey is OIQMKWGYLILBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BN3/c14-16-15-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H.
What are the key properties of azido(diphenyl)borane?
azido(diphenyl)borane has a molecular weight of 207.05 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azido(diphenyl)borane is sourced from PubChem (CID 5326251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).