[6-([1]benzofuro[2,3-c]pyridin-3-yl)-[1]benzofuro[2,3-c]pyridin-1-yl]-[6-([1]benzothiolo[2,3-c]pyridin-3-yl)-[1]benzofuro[2,3-c]pyridin-1-yl]-diphenylsilane

C56H32N4O3SSi — CID 140811454

IUPAC[6-([1]benzofuro[2,3-c]pyridin-3-yl)-[1]benzofuro[2,3-c]pyridin-1-yl]-[6-([1]benzothiolo[2,3-c]pyridin-3-yl)-[1]benzofuro[2,3-c]pyridin-1-yl]-diphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2nccc3c2oc2ccc(-c4cc5c(cn4)oc4ccccc45)cc23)c2nccc3c2oc2ccc(-c4cc5c(cn4)sc4ccccc45)cc23)cc1
InChIInChI=1S/C56H32N4O3SSi/c1-3-11-35(12-4-1)65(36-13-5-2-6-14-36,55-53-39(23-25-57-55)41-27-33(19-21-48(41)62-53)45-29-43-37-15-7-9-17-47(37)61-50(43)31-59-45)56-54-40(24-26-58-56)42-28-34(20-22-49(42)63-54)46-30-44-38-16-8-10-18-51(38)64-52(44)32-60-46/h1-32H
InChIKeyRGVDRHRDXZIDST-UHFFFAOYSA-N
MW869.05 g/mol
LogP12.04
Rot. Bonds6

About [6-([1]benzofuro[2,3-c]pyridin-3-yl)-[1]benzofuro[2,3-c]pyridin-1-yl]-[6-([1]benzothiolo[2,3-c]pyridin-3-yl)-[1]benzofuro[2,3-c]pyridin-1-yl]-diphenylsilane

[6-([1]benzofuro[2,3-c]pyridin-3-yl)-[1]benzofuro[2,3-c]pyridin-1-yl]-[6-([1]benzothiolo[2,3-c]pyridin-3-yl)-[1]benzofuro[2,3-c]pyridin-1-yl]-diphenylsilane (PubChem CID 140811454) has the molecular formula C56H32N4O3SSi and a molecular weight of 869.05 g/mol. Its IUPAC name is [6-([1]benzofuro[2,3-c]pyridin-3-yl)-[1]benzofuro[2,3-c]pyridin-1-yl]-[6-([1]benzothiolo[2,3-c]pyridin-3-yl)-[1]benzofuro[2,3-c]pyridin-1-yl]-diphenylsilane.

Molecular Properties

Compound Name[6-([1]benzofuro[2,3-c]pyridin-3-yl)-[1]benzofuro[2,3-c]pyridin-1-yl]-[6-([1]benzothiolo[2,3-c]pyridin-3-yl)-[1]benzofuro[2,3-c]pyridin-1-yl]-diphenylsilane
PubChem CID140811454
Molecular FormulaC56H32N4O3SSi
Molecular Weight869.05 g/mol
Exact Mass868.20
IUPAC Name[6-([1]benzofuro[2,3-c]pyridin-3-yl)-[1]benzofuro[2,3-c]pyridin-1-yl]-[6-([1]benzothiolo[2,3-c]pyridin-3-yl)-[1]benzofuro[2,3-c]pyridin-1-yl]-diphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2nccc3c2oc2ccc(-c4cc5c(cn4)oc4ccccc45)cc23)c2nccc3c2oc2ccc(-c4cc5c(cn4)sc4ccccc45)cc23)cc1
InChIInChI=1S/C56H32N4O3SSi/c1-3-11-35(12-4-1)65(36-13-5-2-6-14-36,55-53-39(23-25-57-55)41-27-33(19-21-48(41)62-53)45-29-43-37-15-7-9-17-47(37)61-50(43)31-59-45)56-54-40(24-26-58-56)42-28-34(20-22-49(42)63-54)46-30-44-38-16-8-10-18-51(38)64-52(44)32-60-46/h1-32H
InChIKeyRGVDRHRDXZIDST-UHFFFAOYSA-N
XLogP12.04
TPSA90.98 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500869.05
LogP ≤ 512.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze [6-([1]benzofuro[2,3-c]pyridin-3-yl)-[1]benzofuro[2,3-c]pyridin-1-yl]-[6-([1]benzothiolo[2,3-c]pyridin-3-yl)-[1]benzofuro[2,3-c]pyridin-1-yl]-diphenylsilane with MolForge

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Frequently Asked Questions

What is the IUPAC name of [6-([1]benzofuro[2,3-c]pyridin-3-yl)-[1]benzofuro[2,3-c]pyridin-1-yl]-[6-([1]benzothiolo[2,3-c]pyridin-3-yl)-[1]benzofuro[2,3-c]pyridin-1-yl]-diphenylsilane?
The IUPAC name of [6-([1]benzofuro[2,3-c]pyridin-3-yl)-[1]benzofuro[2,3-c]pyridin-1-yl]-[6-([1]benzothiolo[2,3-c]pyridin-3-yl)-[1]benzofuro[2,3-c]pyridin-1-yl]-diphenylsilane (CID 140811454) is [6-([1]benzofuro[2,3-c]pyridin-3-yl)-[1]benzofuro[2,3-c]pyridin-1-yl]-[6-([1]benzothiolo[2,3-c]pyridin-3-yl)-[1]benzofuro[2,3-c]pyridin-1-yl]-diphenylsilane.
What is the SMILES notation for [6-([1]benzofuro[2,3-c]pyridin-3-yl)-[1]benzofuro[2,3-c]pyridin-1-yl]-[6-([1]benzothiolo[2,3-c]pyridin-3-yl)-[1]benzofuro[2,3-c]pyridin-1-yl]-diphenylsilane?
The canonical SMILES for [6-([1]benzofuro[2,3-c]pyridin-3-yl)-[1]benzofuro[2,3-c]pyridin-1-yl]-[6-([1]benzothiolo[2,3-c]pyridin-3-yl)-[1]benzofuro[2,3-c]pyridin-1-yl]-diphenylsilane is c1ccc([Si](c2ccccc2)(c2nccc3c2oc2ccc(-c4cc5c(cn4)oc4ccccc45)cc23)c2nccc3c2oc2ccc(-c4cc5c(cn4)sc4ccccc45)cc23)cc1.
What is the InChIKey of [6-([1]benzofuro[2,3-c]pyridin-3-yl)-[1]benzofuro[2,3-c]pyridin-1-yl]-[6-([1]benzothiolo[2,3-c]pyridin-3-yl)-[1]benzofuro[2,3-c]pyridin-1-yl]-diphenylsilane?
The InChIKey is RGVDRHRDXZIDST-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H32N4O3SSi/c1-3-11-35(12-4-1)65(36-13-5-2-6-14-36,55-53-39(23-25-57-55)41-27-33(19-21-48(41)62-53)45-29-43-37-15-7-9-17-47(37)61-50(43)31-59-45)56-54-40(24-26-58-56)42-28-34(20-22-49(42)63-54)46-30-44-38-16-8-10-18-51(38)64-52(44)32-60-46/h1-32H.
What are the key properties of [6-([1]benzofuro[2,3-c]pyridin-3-yl)-[1]benzofuro[2,3-c]pyridin-1-yl]-[6-([1]benzothiolo[2,3-c]pyridin-3-yl)-[1]benzofuro[2,3-c]pyridin-1-yl]-diphenylsilane?
[6-([1]benzofuro[2,3-c]pyridin-3-yl)-[1]benzofuro[2,3-c]pyridin-1-yl]-[6-([1]benzothiolo[2,3-c]pyridin-3-yl)-[1]benzofuro[2,3-c]pyridin-1-yl]-diphenylsilane has a molecular weight of 869.05 g/mol, XLogP of 12.04, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [6-([1]benzofuro[2,3-c]pyridin-3-yl)-[1]benzofuro[2,3-c]pyridin-1-yl]-[6-([1]benzothiolo[2,3-c]pyridin-3-yl)-[1]benzofuro[2,3-c]pyridin-1-yl]-diphenylsilane is sourced from PubChem (CID 140811454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).