[1,3]oxazolo[3,2-a]benzimidazol-7-yl-diphenyl-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)silane

C30H20N4OSSi — CID 153462924

IUPAC[1,3]oxazolo[3,2-a]benzimidazol-7-yl-diphenyl-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)silane
SMILESc1ccc([Si](c2ccccc2)(c2ccc3nc4occn4c3c2)c2ccc3nc4sccn4c3c2)cc1
InChIInChI=1S/C30H20N4OSSi/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
InChIKeyUVHWPNXZFCVSKJ-UHFFFAOYSA-N
MW512.67 g/mol
LogP4.32
Rot. Bonds4

About [1,3]oxazolo[3,2-a]benzimidazol-7-yl-diphenyl-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)silane

[1,3]oxazolo[3,2-a]benzimidazol-7-yl-diphenyl-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)silane (PubChem CID 153462924) has the molecular formula C30H20N4OSSi and a molecular weight of 512.67 g/mol. Its IUPAC name is [1,3]oxazolo[3,2-a]benzimidazol-7-yl-diphenyl-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)silane.

Molecular Properties

Compound Name[1,3]oxazolo[3,2-a]benzimidazol-7-yl-diphenyl-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)silane
PubChem CID153462924
Molecular FormulaC30H20N4OSSi
Molecular Weight512.67 g/mol
Exact Mass512.11
IUPAC Name[1,3]oxazolo[3,2-a]benzimidazol-7-yl-diphenyl-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)silane
SMILESc1ccc([Si](c2ccccc2)(c2ccc3nc4occn4c3c2)c2ccc3nc4sccn4c3c2)cc1
InChIInChI=1S/C30H20N4OSSi/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
InChIKeyUVHWPNXZFCVSKJ-UHFFFAOYSA-N
XLogP4.32
TPSA47.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.67
LogP ≤ 54.32
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 [1,3]oxazolo[3,2-a]benzimidazol-7-yl-diphenyl-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)silane?
The IUPAC name of [1,3]oxazolo[3,2-a]benzimidazol-7-yl-diphenyl-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)silane (CID 153462924) is [1,3]oxazolo[3,2-a]benzimidazol-7-yl-diphenyl-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)silane.
What is the SMILES notation for [1,3]oxazolo[3,2-a]benzimidazol-7-yl-diphenyl-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)silane?
The canonical SMILES for [1,3]oxazolo[3,2-a]benzimidazol-7-yl-diphenyl-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)silane is c1ccc([Si](c2ccccc2)(c2ccc3nc4occn4c3c2)c2ccc3nc4sccn4c3c2)cc1.
What is the InChIKey of [1,3]oxazolo[3,2-a]benzimidazol-7-yl-diphenyl-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)silane?
The InChIKey is UVHWPNXZFCVSKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20N4OSSi/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 [1,3]oxazolo[3,2-a]benzimidazol-7-yl-diphenyl-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)silane?
[1,3]oxazolo[3,2-a]benzimidazol-7-yl-diphenyl-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)silane has a molecular weight of 512.67 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1,3]oxazolo[3,2-a]benzimidazol-7-yl-diphenyl-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)silane is sourced from PubChem (CID 153462924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).