bis([1,3]oxazolo[3,2-a]benzimidazol-7-yl)-diphenylsilane

C30H20N4O2Si — CID 153462928

IUPACbis([1,3]oxazolo[3,2-a]benzimidazol-7-yl)-diphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2ccc3nc4occn4c3c2)c2ccc3nc4occn4c3c2)cc1
InChIInChI=1S/C30H20N4O2Si/c1-3-7-21(8-4-1)37(22-9-5-2-6-10-22,23-11-13-25-27(19-23)33-15-17-35-29(33)31-25)24-12-14-26-28(20-24)34-16-18-36-30(34)32-26/h1-20H
InChIKeyIFOLNOBFHKMAKD-UHFFFAOYSA-N
MW496.60 g/mol
LogP3.85
Rot. Bonds4

About bis([1,3]oxazolo[3,2-a]benzimidazol-7-yl)-diphenylsilane

bis([1,3]oxazolo[3,2-a]benzimidazol-7-yl)-diphenylsilane (PubChem CID 153462928) has the molecular formula C30H20N4O2Si and a molecular weight of 496.60 g/mol. Its IUPAC name is bis([1,3]oxazolo[3,2-a]benzimidazol-7-yl)-diphenylsilane.

Molecular Properties

Compound Namebis([1,3]oxazolo[3,2-a]benzimidazol-7-yl)-diphenylsilane
PubChem CID153462928
Molecular FormulaC30H20N4O2Si
Molecular Weight496.60 g/mol
Exact Mass496.14
IUPAC Namebis([1,3]oxazolo[3,2-a]benzimidazol-7-yl)-diphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2ccc3nc4occn4c3c2)c2ccc3nc4occn4c3c2)cc1
InChIInChI=1S/C30H20N4O2Si/c1-3-7-21(8-4-1)37(22-9-5-2-6-10-22,23-11-13-25-27(19-23)33-15-17-35-29(33)31-25)24-12-14-26-28(20-24)34-16-18-36-30(34)32-26/h1-20H
InChIKeyIFOLNOBFHKMAKD-UHFFFAOYSA-N
XLogP3.85
TPSA60.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.60
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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([1,3]oxazolo[3,2-a]benzimidazol-7-yl)-diphenylsilane?
The IUPAC name of bis([1,3]oxazolo[3,2-a]benzimidazol-7-yl)-diphenylsilane (CID 153462928) is bis([1,3]oxazolo[3,2-a]benzimidazol-7-yl)-diphenylsilane.
What is the SMILES notation for bis([1,3]oxazolo[3,2-a]benzimidazol-7-yl)-diphenylsilane?
The canonical SMILES for bis([1,3]oxazolo[3,2-a]benzimidazol-7-yl)-diphenylsilane is c1ccc([Si](c2ccccc2)(c2ccc3nc4occn4c3c2)c2ccc3nc4occn4c3c2)cc1.
What is the InChIKey of bis([1,3]oxazolo[3,2-a]benzimidazol-7-yl)-diphenylsilane?
The InChIKey is IFOLNOBFHKMAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20N4O2Si/c1-3-7-21(8-4-1)37(22-9-5-2-6-10-22,23-11-13-25-27(19-23)33-15-17-35-29(33)31-25)24-12-14-26-28(20-24)34-16-18-36-30(34)32-26/h1-20H.
What are the key properties of bis([1,3]oxazolo[3,2-a]benzimidazol-7-yl)-diphenylsilane?
bis([1,3]oxazolo[3,2-a]benzimidazol-7-yl)-diphenylsilane has a molecular weight of 496.60 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis([1,3]oxazolo[3,2-a]benzimidazol-7-yl)-diphenylsilane is sourced from PubChem (CID 153462928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).