diphenylboranylcarbonyl diphenylboranylformate

C26H20B2O3 — CID 57000365

IUPACdiphenylboranylcarbonyl diphenylboranylformate
SMILESO=C(OC(=O)B(c1ccccc1)c1ccccc1)B(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H20B2O3/c29-25(27(21-13-5-1-6-14-21)22-15-7-2-8-16-22)31-26(30)28(23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H
InChIKeyKQJSKRMDSPCELG-UHFFFAOYSA-N
MW402.07 g/mol
LogP3.02
Rot. Bonds6

About diphenylboranylcarbonyl diphenylboranylformate

diphenylboranylcarbonyl diphenylboranylformate (PubChem CID 57000365) has the molecular formula C26H20B2O3 and a molecular weight of 402.07 g/mol. Its IUPAC name is diphenylboranylcarbonyl diphenylboranylformate.

Molecular Properties

Compound Namediphenylboranylcarbonyl diphenylboranylformate
PubChem CID57000365
Molecular FormulaC26H20B2O3
Molecular Weight402.07 g/mol
Exact Mass402.16
IUPAC Namediphenylboranylcarbonyl diphenylboranylformate
SMILESO=C(OC(=O)B(c1ccccc1)c1ccccc1)B(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H20B2O3/c29-25(27(21-13-5-1-6-14-21)22-15-7-2-8-16-22)31-26(30)28(23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H
InChIKeyKQJSKRMDSPCELG-UHFFFAOYSA-N
XLogP3.02
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.07
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diphenylboranylcarbonyl diphenylboranylformate?
The IUPAC name of diphenylboranylcarbonyl diphenylboranylformate (CID 57000365) is diphenylboranylcarbonyl diphenylboranylformate.
What is the SMILES notation for diphenylboranylcarbonyl diphenylboranylformate?
The canonical SMILES for diphenylboranylcarbonyl diphenylboranylformate is O=C(OC(=O)B(c1ccccc1)c1ccccc1)B(c1ccccc1)c1ccccc1.
What is the InChIKey of diphenylboranylcarbonyl diphenylboranylformate?
The InChIKey is KQJSKRMDSPCELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20B2O3/c29-25(27(21-13-5-1-6-14-21)22-15-7-2-8-16-22)31-26(30)28(23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H.
What are the key properties of diphenylboranylcarbonyl diphenylboranylformate?
diphenylboranylcarbonyl diphenylboranylformate has a molecular weight of 402.07 g/mol, XLogP of 3.02, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diphenylboranylcarbonyl diphenylboranylformate is sourced from PubChem (CID 57000365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).