diphenyl-(6-pyrido[4,3-b]indol-5-yldibenzofuran-4-yl)-(6-pyrido[4,3-b]indol-5-yldibenzothiophen-4-yl)silane

C58H36N4OSSi — CID 140811584

About diphenyl-(6-pyrido[4,3-b]indol-5-yldibenzofuran-4-yl)-(6-pyrido[4,3-b]indol-5-yldibenzothiophen-4-yl)silane

diphenyl-(6-pyrido[4,3-b]indol-5-yldibenzofuran-4-yl)-(6-pyrido[4,3-b]indol-5-yldibenzothiophen-4-yl)silane (PubChem CID 140811584) has the molecular formula C58H36N4OSSi and a molecular weight of 865.11 g/mol. Its IUPAC name is diphenyl-(6-pyrido[4,3-b]indol-5-yldibenzofuran-4-yl)-(6-pyrido[4,3-b]indol-5-yldibenzothiophen-4-yl)silane.

Molecular Properties

• Compound Name: diphenyl-(6-pyrido[4,3-b]indol-5-yldibenzofuran-4-yl)-(6-pyrido[4,3-b]indol-5-yldibenzothiophen-4-yl)silane
• PubChem CID: 140811584
• Molecular Formula: C58H36N4OSSi
• Molecular Weight: 865.11 g/mol
• Exact Mass: 864.24
• IUPAC Name: diphenyl-(6-pyrido[4,3-b]indol-5-yldibenzofuran-4-yl)-(6-pyrido[4,3-b]indol-5-yldibenzothiophen-4-yl)silane
• SMILES: c1ccc([Si](c2ccccc2)(c2cccc3c2oc2c(-n4c5ccccc5c5cnccc54)cccc23)c2cccc3c2sc2c(-n4c5ccccc5c5cnccc54)cccc23)cc1
• InChI: InChI=1S/C58H36N4OSSi/c1-3-15-37(16-4-1)65(38-17-5-2-6-18-38,53-29-13-22-42-41-21-11-27-51(55(41)63-56(42)53)61-47-25-9-7-19-39(47)45-35-59-33-31-49(45)61)54-30-14-24-44-43-23-12-28-52(57(43)64-58(44)54)62-48-26-10-8-20-40(48)46-36-60-34-32-50(46)62/h1-36H
• InChIKey: YOFCYDIRUAPKOQ-UHFFFAOYSA-N
• XLogP: 12.32
• TPSA: 48.78 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	865.11
LogP ≤ 5	12.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of diphenyl-(6-pyrido[4,3-b]indol-5-yldibenzofuran-4-yl)-(6-pyrido[4,3-b]indol-5-yldibenzothiophen-4-yl)silane?

The IUPAC name of diphenyl-(6-pyrido[4,3-b]indol-5-yldibenzofuran-4-yl)-(6-pyrido[4,3-b]indol-5-yldibenzothiophen-4-yl)silane (CID 140811584) is diphenyl-(6-pyrido[4,3-b]indol-5-yldibenzofuran-4-yl)-(6-pyrido[4,3-b]indol-5-yldibenzothiophen-4-yl)silane.

What is the SMILES notation for diphenyl-(6-pyrido[4,3-b]indol-5-yldibenzofuran-4-yl)-(6-pyrido[4,3-b]indol-5-yldibenzothiophen-4-yl)silane?

The canonical SMILES for diphenyl-(6-pyrido[4,3-b]indol-5-yldibenzofuran-4-yl)-(6-pyrido[4,3-b]indol-5-yldibenzothiophen-4-yl)silane is c1ccc([Si](c2ccccc2)(c2cccc3c2oc2c(-n4c5ccccc5c5cnccc54)cccc23)c2cccc3c2sc2c(-n4c5ccccc5c5cnccc54)cccc23)cc1.

What is the InChIKey of diphenyl-(6-pyrido[4,3-b]indol-5-yldibenzofuran-4-yl)-(6-pyrido[4,3-b]indol-5-yldibenzothiophen-4-yl)silane?

The InChIKey is YOFCYDIRUAPKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36N4OSSi/c1-3-15-37(16-4-1)65(38-17-5-2-6-18-38,53-29-13-22-42-41-21-11-27-51(55(41)63-56(42)53)61-47-25-9-7-19-39(47)45-35-59-33-31-49(45)61)54-30-14-24-44-43-23-12-28-52(57(43)64-58(44)54)62-48-26-10-8-20-40(48)46-36-60-34-32-50(46)62/h1-36H.

What are the key properties of diphenyl-(6-pyrido[4,3-b]indol-5-yldibenzofuran-4-yl)-(6-pyrido[4,3-b]indol-5-yldibenzothiophen-4-yl)silane?

diphenyl-(6-pyrido[4,3-b]indol-5-yldibenzofuran-4-yl)-(6-pyrido[4,3-b]indol-5-yldibenzothiophen-4-yl)silane has a molecular weight of 865.11 g/mol, XLogP of 12.32, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for diphenyl-(6-pyrido[4,3-b]indol-5-yldibenzofuran-4-yl)-(6-pyrido[4,3-b]indol-5-yldibenzothiophen-4-yl)silane is sourced from PubChem (CID 140811584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).