(8-carbazol-9-yldibenzofuran-4-yl)-diphenyl-(8-pyrido[3,4-b]indol-9-yldibenzothiophen-4-yl)silane

C59H37N3OSSi — CID 140811709

About (8-carbazol-9-yldibenzofuran-4-yl)-diphenyl-(8-pyrido[3,4-b]indol-9-yldibenzothiophen-4-yl)silane

(8-carbazol-9-yldibenzofuran-4-yl)-diphenyl-(8-pyrido[3,4-b]indol-9-yldibenzothiophen-4-yl)silane (PubChem CID 140811709) has the molecular formula C59H37N3OSSi and a molecular weight of 864.12 g/mol. Its IUPAC name is (8-carbazol-9-yldibenzofuran-4-yl)-diphenyl-(8-pyrido[3,4-b]indol-9-yldibenzothiophen-4-yl)silane.

Molecular Properties

• Compound Name: (8-carbazol-9-yldibenzofuran-4-yl)-diphenyl-(8-pyrido[3,4-b]indol-9-yldibenzothiophen-4-yl)silane
• PubChem CID: 140811709
• Molecular Formula: C59H37N3OSSi
• Molecular Weight: 864.12 g/mol
• Exact Mass: 863.24
• IUPAC Name: (8-carbazol-9-yldibenzofuran-4-yl)-diphenyl-(8-pyrido[3,4-b]indol-9-yldibenzothiophen-4-yl)silane
• SMILES: c1ccc([Si](c2ccccc2)(c2cccc3c2oc2ccc(-n4c5ccccc5c5ccccc54)cc23)c2cccc3c2sc2ccc(-n4c5ccccc5c5ccncc54)cc23)cc1
• InChI: InChI=1S/C59H37N3OSSi/c1-3-15-40(16-4-1)65(41-17-5-2-6-18-41,56-27-13-22-46-48-35-38(29-31-54(48)63-58(46)56)61-50-24-10-7-19-42(50)43-20-8-11-25-51(43)61)57-28-14-23-47-49-36-39(30-32-55(49)64-59(47)57)62-52-26-12-9-21-44(52)45-33-34-60-37-53(45)62/h1-37H
• InChIKey: GNKHJJGJEOSAHO-UHFFFAOYSA-N
• XLogP: 12.92
• TPSA: 35.89 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	864.12
LogP ≤ 5	12.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

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 (8-carbazol-9-yldibenzofuran-4-yl)-diphenyl-(8-pyrido[3,4-b]indol-9-yldibenzothiophen-4-yl)silane?

The IUPAC name of (8-carbazol-9-yldibenzofuran-4-yl)-diphenyl-(8-pyrido[3,4-b]indol-9-yldibenzothiophen-4-yl)silane (CID 140811709) is (8-carbazol-9-yldibenzofuran-4-yl)-diphenyl-(8-pyrido[3,4-b]indol-9-yldibenzothiophen-4-yl)silane.

What is the SMILES notation for (8-carbazol-9-yldibenzofuran-4-yl)-diphenyl-(8-pyrido[3,4-b]indol-9-yldibenzothiophen-4-yl)silane?

The canonical SMILES for (8-carbazol-9-yldibenzofuran-4-yl)-diphenyl-(8-pyrido[3,4-b]indol-9-yldibenzothiophen-4-yl)silane is c1ccc([Si](c2ccccc2)(c2cccc3c2oc2ccc(-n4c5ccccc5c5ccccc54)cc23)c2cccc3c2sc2ccc(-n4c5ccccc5c5ccncc54)cc23)cc1.

What is the InChIKey of (8-carbazol-9-yldibenzofuran-4-yl)-diphenyl-(8-pyrido[3,4-b]indol-9-yldibenzothiophen-4-yl)silane?

The InChIKey is GNKHJJGJEOSAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H37N3OSSi/c1-3-15-40(16-4-1)65(41-17-5-2-6-18-41,56-27-13-22-46-48-35-38(29-31-54(48)63-58(46)56)61-50-24-10-7-19-42(50)43-20-8-11-25-51(43)61)57-28-14-23-47-49-36-39(30-32-55(49)64-59(47)57)62-52-26-12-9-21-44(52)45-33-34-60-37-53(45)62/h1-37H.

What are the key properties of (8-carbazol-9-yldibenzofuran-4-yl)-diphenyl-(8-pyrido[3,4-b]indol-9-yldibenzothiophen-4-yl)silane?

(8-carbazol-9-yldibenzofuran-4-yl)-diphenyl-(8-pyrido[3,4-b]indol-9-yldibenzothiophen-4-yl)silane has a molecular weight of 864.12 g/mol, XLogP of 12.92, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (8-carbazol-9-yldibenzofuran-4-yl)-diphenyl-(8-pyrido[3,4-b]indol-9-yldibenzothiophen-4-yl)silane is sourced from PubChem (CID 140811709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).