triphenyl borate

C18H15BO3 — CID 14182

IUPACtriphenyl borate
SMILESc1ccc(OB(Oc2ccccc2)Oc2ccccc2)cc1
InChIInChI=1S/C18H15BO3/c1-4-10-16(11-5-1)20-19(21-17-12-6-2-7-13-17)22-18-14-8-3-9-15-18/h1-15H
InChIKeyMDCWDBMBZLORER-UHFFFAOYSA-N
MW290.13 g/mol
LogP4.21
Rot. Bonds6

About triphenyl borate

triphenyl borate (PubChem CID 14182) has the molecular formula C18H15BO3 and a molecular weight of 290.13 g/mol. Its IUPAC name is triphenyl borate.

Molecular Properties

Compound Nametriphenyl borate
PubChem CID14182
Molecular FormulaC18H15BO3
Molecular Weight290.13 g/mol
Exact Mass290.11
IUPAC Nametriphenyl borate
SMILESc1ccc(OB(Oc2ccccc2)Oc2ccccc2)cc1
InChIInChI=1S/C18H15BO3/c1-4-10-16(11-5-1)20-19(21-17-12-6-2-7-13-17)22-18-14-8-3-9-15-18/h1-15H
InChIKeyMDCWDBMBZLORER-UHFFFAOYSA-N
XLogP4.21
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.13
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze triphenyl borate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Triphenyl Phosphate
CID 8289
Triphenyl phosphite
CID 7540
O,O,O-Triphenyl phosphorothioate
CID 69011
Diphenyl P-phenylphosphonate
CID 76448
Boric acid (H3BO3), tris(methylphenyl) ester
CID 75875
O,O,O-Triphenyl stiborothioate
CID 22724594
Phenol, 4-(diphenylphosphinyl)-
CID 2828393
Tetraphenoxysilane
CID 70896
Diphenyl phosphonate
CID 6327546
Phenyl P,P-diphenylphosphinate
CID 15566
O,O-Diphenyl hydrogen phosphorodithioate
CID 350906
p,p'-(Phenylphosphinylidene)bisphenol
CID 69930

Frequently Asked Questions

What is the IUPAC name of triphenyl borate?
The IUPAC name of triphenyl borate (CID 14182) is triphenyl borate.
What is the SMILES notation for triphenyl borate?
The canonical SMILES for triphenyl borate is c1ccc(OB(Oc2ccccc2)Oc2ccccc2)cc1.
What is the InChIKey of triphenyl borate?
The InChIKey is MDCWDBMBZLORER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BO3/c1-4-10-16(11-5-1)20-19(21-17-12-6-2-7-13-17)22-18-14-8-3-9-15-18/h1-15H.
What are the key properties of triphenyl borate?
triphenyl borate has a molecular weight of 290.13 g/mol, XLogP of 4.21, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl borate is sourced from PubChem (CID 14182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).