[1]benzofuro[3,2-b]pyridin-4-yl(triphenyl)silane

C29H21NOSi — CID 123936384

IUPAC[1]benzofuro[3,2-b]pyridin-4-yl(triphenyl)silane
SMILESc1ccc([Si](c2ccccc2)(c2ccccc2)c2ccnc3c2oc2ccccc23)cc1
InChIInChI=1S/C29H21NOSi/c1-4-12-22(13-5-1)32(23-14-6-2-7-15-23,24-16-8-3-9-17-24)27-20-21-30-28-25-18-10-11-19-26(25)31-29(27)28/h1-21H
InChIKeyNYYQYKBBBWVLBC-UHFFFAOYSA-N
MW427.58 g/mol
LogP4.36
Rot. Bonds4

About [1]benzofuro[3,2-b]pyridin-4-yl(triphenyl)silane

[1]benzofuro[3,2-b]pyridin-4-yl(triphenyl)silane (PubChem CID 123936384) has the molecular formula C29H21NOSi and a molecular weight of 427.58 g/mol. Its IUPAC name is [1]benzofuro[3,2-b]pyridin-4-yl(triphenyl)silane.

Molecular Properties

Compound Name[1]benzofuro[3,2-b]pyridin-4-yl(triphenyl)silane
PubChem CID123936384
Molecular FormulaC29H21NOSi
Molecular Weight427.58 g/mol
Exact Mass427.14
IUPAC Name[1]benzofuro[3,2-b]pyridin-4-yl(triphenyl)silane
SMILESc1ccc([Si](c2ccccc2)(c2ccccc2)c2ccnc3c2oc2ccccc23)cc1
InChIInChI=1S/C29H21NOSi/c1-4-12-22(13-5-1)32(23-14-6-2-7-15-23,24-16-8-3-9-17-24)27-20-21-30-28-25-18-10-11-19-26(25)31-29(27)28/h1-21H
InChIKeyNYYQYKBBBWVLBC-UHFFFAOYSA-N
XLogP4.36
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.58
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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]benzofuro[3,2-b]pyridin-4-yl(triphenyl)silane?
The IUPAC name of [1]benzofuro[3,2-b]pyridin-4-yl(triphenyl)silane (CID 123936384) is [1]benzofuro[3,2-b]pyridin-4-yl(triphenyl)silane.
What is the SMILES notation for [1]benzofuro[3,2-b]pyridin-4-yl(triphenyl)silane?
The canonical SMILES for [1]benzofuro[3,2-b]pyridin-4-yl(triphenyl)silane is c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccnc3c2oc2ccccc23)cc1.
What is the InChIKey of [1]benzofuro[3,2-b]pyridin-4-yl(triphenyl)silane?
The InChIKey is NYYQYKBBBWVLBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21NOSi/c1-4-12-22(13-5-1)32(23-14-6-2-7-15-23,24-16-8-3-9-17-24)27-20-21-30-28-25-18-10-11-19-26(25)31-29(27)28/h1-21H.
What are the key properties of [1]benzofuro[3,2-b]pyridin-4-yl(triphenyl)silane?
[1]benzofuro[3,2-b]pyridin-4-yl(triphenyl)silane has a molecular weight of 427.58 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1]benzofuro[3,2-b]pyridin-4-yl(triphenyl)silane is sourced from PubChem (CID 123936384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).