diphenylboranyloxy(diphenyl)borane

C24H20B2O — CID 596810

IUPACdiphenylboranyloxy(diphenyl)borane
SMILESc1ccc(B(OB(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H20B2O/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22)27-26(23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H
InChIKeySNQFEECGHGUHBK-UHFFFAOYSA-N
MW346.05 g/mol
LogP2.61
Rot. Bonds6

About diphenylboranyloxy(diphenyl)borane

diphenylboranyloxy(diphenyl)borane (PubChem CID 596810) has the molecular formula C24H20B2O and a molecular weight of 346.05 g/mol. Its IUPAC name is diphenylboranyloxy(diphenyl)borane.

Molecular Properties

Compound Namediphenylboranyloxy(diphenyl)borane
PubChem CID596810
Molecular FormulaC24H20B2O
Molecular Weight346.05 g/mol
Exact Mass346.17
IUPAC Namediphenylboranyloxy(diphenyl)borane
SMILESc1ccc(B(OB(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H20B2O/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22)27-26(23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H
InChIKeySNQFEECGHGUHBK-UHFFFAOYSA-N
XLogP2.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.05
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 diphenylboranyloxy(diphenyl)borane?
The IUPAC name of diphenylboranyloxy(diphenyl)borane (CID 596810) is diphenylboranyloxy(diphenyl)borane.
What is the SMILES notation for diphenylboranyloxy(diphenyl)borane?
The canonical SMILES for diphenylboranyloxy(diphenyl)borane is c1ccc(B(OB(c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of diphenylboranyloxy(diphenyl)borane?
The InChIKey is SNQFEECGHGUHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20B2O/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22)27-26(23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H.
What are the key properties of diphenylboranyloxy(diphenyl)borane?
diphenylboranyloxy(diphenyl)borane has a molecular weight of 346.05 g/mol, XLogP of 2.61, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diphenylboranyloxy(diphenyl)borane is sourced from PubChem (CID 596810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).