[1]benzofuro[2,3-b]pyridin-8-yl-diphenyl-[4-(9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)-1,3,5-triazin-2-yl]silane

C44H27N5OSSi — CID 140924379

IUPAC[1]benzofuro[2,3-b]pyridin-8-yl-diphenyl-[4-(9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)-1,3,5-triazin-2-yl]silane
SMILESc1ccc([Si](c2ccccc2)(c2ncnc(-n3c4ccccc4c4c5c(ccc43)sc3ccccc35)n2)c2cccc3c2oc2ncccc23)cc1
InChIInChI=1S/C44H27N5OSSi/c1-3-13-28(14-4-1)52(29-15-5-2-6-16-29,38-23-11-19-30-31-20-12-26-45-42(31)50-41(30)38)44-47-27-46-43(48-44)49-34-21-9-7-17-32(34)39-35(49)24-25-37-40(39)33-18-8-10-22-36(33)51-37/h1-27H
InChIKeyGSPXEJIIXWPTMI-UHFFFAOYSA-N
MW701.89 g/mol
LogP8.01
Rot. Bonds5

About [1]benzofuro[2,3-b]pyridin-8-yl-diphenyl-[4-(9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)-1,3,5-triazin-2-yl]silane

[1]benzofuro[2,3-b]pyridin-8-yl-diphenyl-[4-(9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)-1,3,5-triazin-2-yl]silane (PubChem CID 140924379) has the molecular formula C44H27N5OSSi and a molecular weight of 701.89 g/mol. Its IUPAC name is [1]benzofuro[2,3-b]pyridin-8-yl-diphenyl-[4-(9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)-1,3,5-triazin-2-yl]silane.

Molecular Properties

Compound Name[1]benzofuro[2,3-b]pyridin-8-yl-diphenyl-[4-(9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)-1,3,5-triazin-2-yl]silane
PubChem CID140924379
Molecular FormulaC44H27N5OSSi
Molecular Weight701.89 g/mol
Exact Mass701.17
IUPAC Name[1]benzofuro[2,3-b]pyridin-8-yl-diphenyl-[4-(9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)-1,3,5-triazin-2-yl]silane
SMILESc1ccc([Si](c2ccccc2)(c2ncnc(-n3c4ccccc4c4c5c(ccc43)sc3ccccc35)n2)c2cccc3c2oc2ncccc23)cc1
InChIInChI=1S/C44H27N5OSSi/c1-3-13-28(14-4-1)52(29-15-5-2-6-16-29,38-23-11-19-30-31-20-12-26-45-42(31)50-41(30)38)44-47-27-46-43(48-44)49-34-21-9-7-17-32(34)39-35(49)24-25-37-40(39)33-18-8-10-22-36(33)51-37/h1-27H
InChIKeyGSPXEJIIXWPTMI-UHFFFAOYSA-N
XLogP8.01
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500701.89
LogP ≤ 58.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [1]benzofuro[2,3-b]pyridin-8-yl-diphenyl-[4-(9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)-1,3,5-triazin-2-yl]silane with MolForge

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Frequently Asked Questions

What is the IUPAC name of [1]benzofuro[2,3-b]pyridin-8-yl-diphenyl-[4-(9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)-1,3,5-triazin-2-yl]silane?
The IUPAC name of [1]benzofuro[2,3-b]pyridin-8-yl-diphenyl-[4-(9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)-1,3,5-triazin-2-yl]silane (CID 140924379) is [1]benzofuro[2,3-b]pyridin-8-yl-diphenyl-[4-(9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)-1,3,5-triazin-2-yl]silane.
What is the SMILES notation for [1]benzofuro[2,3-b]pyridin-8-yl-diphenyl-[4-(9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)-1,3,5-triazin-2-yl]silane?
The canonical SMILES for [1]benzofuro[2,3-b]pyridin-8-yl-diphenyl-[4-(9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)-1,3,5-triazin-2-yl]silane is c1ccc([Si](c2ccccc2)(c2ncnc(-n3c4ccccc4c4c5c(ccc43)sc3ccccc35)n2)c2cccc3c2oc2ncccc23)cc1.
What is the InChIKey of [1]benzofuro[2,3-b]pyridin-8-yl-diphenyl-[4-(9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)-1,3,5-triazin-2-yl]silane?
The InChIKey is GSPXEJIIXWPTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H27N5OSSi/c1-3-13-28(14-4-1)52(29-15-5-2-6-16-29,38-23-11-19-30-31-20-12-26-45-42(31)50-41(30)38)44-47-27-46-43(48-44)49-34-21-9-7-17-32(34)39-35(49)24-25-37-40(39)33-18-8-10-22-36(33)51-37/h1-27H.
What are the key properties of [1]benzofuro[2,3-b]pyridin-8-yl-diphenyl-[4-(9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)-1,3,5-triazin-2-yl]silane?
[1]benzofuro[2,3-b]pyridin-8-yl-diphenyl-[4-(9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)-1,3,5-triazin-2-yl]silane has a molecular weight of 701.89 g/mol, XLogP of 8.01, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1]benzofuro[2,3-b]pyridin-8-yl-diphenyl-[4-(9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)-1,3,5-triazin-2-yl]silane is sourced from PubChem (CID 140924379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).