dibenzothiophen-4-yl-diphenyl-[3-[3-[9-[4-(3-triphenylen-2-ylphenyl)phenyl]carbazol-4-yl]carbazol-9-yl]phenyl]silane

C84H54N2SSi — CID 174005488

About dibenzothiophen-4-yl-diphenyl-[3-[3-[9-[4-(3-triphenylen-2-ylphenyl)phenyl]carbazol-4-yl]carbazol-9-yl]phenyl]silane

dibenzothiophen-4-yl-diphenyl-[3-[3-[9-[4-(3-triphenylen-2-ylphenyl)phenyl]carbazol-4-yl]carbazol-9-yl]phenyl]silane (PubChem CID 174005488) has the molecular formula C84H54N2SSi and a molecular weight of 1151.52 g/mol. Its IUPAC name is dibenzothiophen-4-yl-diphenyl-[3-[3-[9-[4-(3-triphenylen-2-ylphenyl)phenyl]carbazol-4-yl]carbazol-9-yl]phenyl]silane.

Molecular Properties

• Compound Name: dibenzothiophen-4-yl-diphenyl-[3-[3-[9-[4-(3-triphenylen-2-ylphenyl)phenyl]carbazol-4-yl]carbazol-9-yl]phenyl]silane
• PubChem CID: 174005488
• Molecular Formula: C84H54N2SSi
• Molecular Weight: 1151.52 g/mol
• Exact Mass: 1150.38
• IUPAC Name: dibenzothiophen-4-yl-diphenyl-[3-[3-[9-[4-(3-triphenylen-2-ylphenyl)phenyl]carbazol-4-yl]carbazol-9-yl]phenyl]silane
• SMILES: c1ccc([Si](c2ccccc2)(c2cccc(-n3c4ccccc4c4cc(-c5cccc6c5c5ccccc5n6-c5ccc(-c6cccc(-c7ccc8c9ccccc9c9ccccc9c8c7)c6)cc5)ccc43)c2)c2cccc3c2sc2ccccc23)cc1
• InChI: InChI=1S/C84H54N2SSi/c1-3-24-62(25-4-1)88(63-26-5-2-6-27-63,82-42-20-37-73-72-34-13-16-41-81(72)87-84(73)82)64-28-18-23-61(54-64)86-77-38-14-11-33-71(77)76-53-59(46-50-79(76)86)65-36-19-40-80-83(65)74-35-12-15-39-78(74)85(80)60-47-43-55(44-48-60)56-21-17-22-57(51-56)58-45-49-70-68-31-8-7-29-66(68)67-30-9-10-32-69(67)75(70)52-58/h1-54H
• InChIKey: JXGYMEBJVUNOBW-UHFFFAOYSA-N
• XLogP: 20.09
• TPSA: 9.86 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1151.52
LogP ≤ 5	20.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dibenzothiophen-4-yl-diphenyl-[3-[3-[9-[4-(3-triphenylen-2-ylphenyl)phenyl]carbazol-4-yl]carbazol-9-yl]phenyl]silane?

The IUPAC name of dibenzothiophen-4-yl-diphenyl-[3-[3-[9-[4-(3-triphenylen-2-ylphenyl)phenyl]carbazol-4-yl]carbazol-9-yl]phenyl]silane (CID 174005488) is dibenzothiophen-4-yl-diphenyl-[3-[3-[9-[4-(3-triphenylen-2-ylphenyl)phenyl]carbazol-4-yl]carbazol-9-yl]phenyl]silane.

What is the SMILES notation for dibenzothiophen-4-yl-diphenyl-[3-[3-[9-[4-(3-triphenylen-2-ylphenyl)phenyl]carbazol-4-yl]carbazol-9-yl]phenyl]silane?

The canonical SMILES for dibenzothiophen-4-yl-diphenyl-[3-[3-[9-[4-(3-triphenylen-2-ylphenyl)phenyl]carbazol-4-yl]carbazol-9-yl]phenyl]silane is c1ccc([Si](c2ccccc2)(c2cccc(-n3c4ccccc4c4cc(-c5cccc6c5c5ccccc5n6-c5ccc(-c6cccc(-c7ccc8c9ccccc9c9ccccc9c8c7)c6)cc5)ccc43)c2)c2cccc3c2sc2ccccc23)cc1.

What is the InChIKey of dibenzothiophen-4-yl-diphenyl-[3-[3-[9-[4-(3-triphenylen-2-ylphenyl)phenyl]carbazol-4-yl]carbazol-9-yl]phenyl]silane?

The InChIKey is JXGYMEBJVUNOBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H54N2SSi/c1-3-24-62(25-4-1)88(63-26-5-2-6-27-63,82-42-20-37-73-72-34-13-16-41-81(72)87-84(73)82)64-28-18-23-61(54-64)86-77-38-14-11-33-71(77)76-53-59(46-50-79(76)86)65-36-19-40-80-83(65)74-35-12-15-39-78(74)85(80)60-47-43-55(44-48-60)56-21-17-22-57(51-56)58-45-49-70-68-31-8-7-29-66(68)67-30-9-10-32-69(67)75(70)52-58/h1-54H.

What are the key properties of dibenzothiophen-4-yl-diphenyl-[3-[3-[9-[4-(3-triphenylen-2-ylphenyl)phenyl]carbazol-4-yl]carbazol-9-yl]phenyl]silane?

dibenzothiophen-4-yl-diphenyl-[3-[3-[9-[4-(3-triphenylen-2-ylphenyl)phenyl]carbazol-4-yl]carbazol-9-yl]phenyl]silane has a molecular weight of 1151.52 g/mol, XLogP of 20.09, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for dibenzothiophen-4-yl-diphenyl-[3-[3-[9-[4-(3-triphenylen-2-ylphenyl)phenyl]carbazol-4-yl]carbazol-9-yl]phenyl]silane is sourced from PubChem (CID 174005488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).