bis(4-isocyanatophenyl)-diphenylsilane

C26H18N2O2Si — CID 13249367

IUPACbis(4-isocyanatophenyl)-diphenylsilane
SMILESO=C=Nc1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(N=C=O)cc2)cc1
InChIInChI=1S/C26H18N2O2Si/c29-19-27-21-11-15-25(16-12-21)31(23-7-3-1-4-8-23,24-9-5-2-6-10-24)26-17-13-22(14-18-26)28-20-30/h1-18H
InChIKeyUEGAUUGQMMPWNV-UHFFFAOYSA-N
MW418.53 g/mol
LogP3.00
Rot. Bonds6

About bis(4-isocyanatophenyl)-diphenylsilane

bis(4-isocyanatophenyl)-diphenylsilane (PubChem CID 13249367) has the molecular formula C26H18N2O2Si and a molecular weight of 418.53 g/mol. Its IUPAC name is bis(4-isocyanatophenyl)-diphenylsilane.

Molecular Properties

Compound Namebis(4-isocyanatophenyl)-diphenylsilane
PubChem CID13249367
Molecular FormulaC26H18N2O2Si
Molecular Weight418.53 g/mol
Exact Mass418.11
IUPAC Namebis(4-isocyanatophenyl)-diphenylsilane
SMILESO=C=Nc1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(N=C=O)cc2)cc1
InChIInChI=1S/C26H18N2O2Si/c29-19-27-21-11-15-25(16-12-21)31(23-7-3-1-4-8-23,24-9-5-2-6-10-24)26-17-13-22(14-18-26)28-20-30/h1-18H
InChIKeyUEGAUUGQMMPWNV-UHFFFAOYSA-N
XLogP3.00
TPSA58.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.53
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', '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(4-isocyanatophenyl)-diphenylsilane?
The IUPAC name of bis(4-isocyanatophenyl)-diphenylsilane (CID 13249367) is bis(4-isocyanatophenyl)-diphenylsilane.
What is the SMILES notation for bis(4-isocyanatophenyl)-diphenylsilane?
The canonical SMILES for bis(4-isocyanatophenyl)-diphenylsilane is O=C=Nc1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(N=C=O)cc2)cc1.
What is the InChIKey of bis(4-isocyanatophenyl)-diphenylsilane?
The InChIKey is UEGAUUGQMMPWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N2O2Si/c29-19-27-21-11-15-25(16-12-21)31(23-7-3-1-4-8-23,24-9-5-2-6-10-24)26-17-13-22(14-18-26)28-20-30/h1-18H.
What are the key properties of bis(4-isocyanatophenyl)-diphenylsilane?
bis(4-isocyanatophenyl)-diphenylsilane has a molecular weight of 418.53 g/mol, XLogP of 3.00, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-isocyanatophenyl)-diphenylsilane is sourced from PubChem (CID 13249367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).