bis(triphenylsilyloxy)boranylformonitrile

C37H30BNO2Si2 — CID 140624150

IUPACbis(triphenylsilyloxy)boranylformonitrile
SMILESN#CB(O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)O[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C37H30BNO2Si2/c39-31-38(40-42(32-19-7-1-8-20-32,33-21-9-2-10-22-33)34-23-11-3-12-24-34)41-43(35-25-13-4-14-26-35,36-27-15-5-16-28-36)37-29-17-6-18-30-37/h1-30H
InChIKeyJDDCFUJMZNAJAW-UHFFFAOYSA-N
MW587.64 g/mol
LogP3.90
Rot. Bonds10

About bis(triphenylsilyloxy)boranylformonitrile

bis(triphenylsilyloxy)boranylformonitrile (PubChem CID 140624150) has the molecular formula C37H30BNO2Si2 and a molecular weight of 587.64 g/mol. Its IUPAC name is bis(triphenylsilyloxy)boranylformonitrile.

Molecular Properties

Compound Namebis(triphenylsilyloxy)boranylformonitrile
PubChem CID140624150
Molecular FormulaC37H30BNO2Si2
Molecular Weight587.64 g/mol
Exact Mass587.19
IUPAC Namebis(triphenylsilyloxy)boranylformonitrile
SMILESN#CB(O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)O[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C37H30BNO2Si2/c39-31-38(40-42(32-19-7-1-8-20-32,33-21-9-2-10-22-33)34-23-11-3-12-24-34)41-43(35-25-13-4-14-26-35,36-27-15-5-16-28-36)37-29-17-6-18-30-37/h1-30H
InChIKeyJDDCFUJMZNAJAW-UHFFFAOYSA-N
XLogP3.90
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500587.64
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(triphenylsilyloxy)boranylformonitrile?
The IUPAC name of bis(triphenylsilyloxy)boranylformonitrile (CID 140624150) is bis(triphenylsilyloxy)boranylformonitrile.
What is the SMILES notation for bis(triphenylsilyloxy)boranylformonitrile?
The canonical SMILES for bis(triphenylsilyloxy)boranylformonitrile is N#CB(O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)O[Si](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of bis(triphenylsilyloxy)boranylformonitrile?
The InChIKey is JDDCFUJMZNAJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H30BNO2Si2/c39-31-38(40-42(32-19-7-1-8-20-32,33-21-9-2-10-22-33)34-23-11-3-12-24-34)41-43(35-25-13-4-14-26-35,36-27-15-5-16-28-36)37-29-17-6-18-30-37/h1-30H.
What are the key properties of bis(triphenylsilyloxy)boranylformonitrile?
bis(triphenylsilyloxy)boranylformonitrile has a molecular weight of 587.64 g/mol, XLogP of 3.90, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(triphenylsilyloxy)boranylformonitrile is sourced from PubChem (CID 140624150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).