[3-(2-dibenzothiophen-4-ylcarbazol-9-yl)phenyl]-diphenyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)silane

C56H47NSSi — CID 177285321

About [3-(2-dibenzothiophen-4-ylcarbazol-9-yl)phenyl]-diphenyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)silane

[3-(2-dibenzothiophen-4-ylcarbazol-9-yl)phenyl]-diphenyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)silane (PubChem CID 177285321) has the molecular formula C56H47NSSi and a molecular weight of 794.15 g/mol. Its IUPAC name is [3-(2-dibenzothiophen-4-ylcarbazol-9-yl)phenyl]-diphenyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)silane.

Molecular Properties

• Compound Name: [3-(2-dibenzothiophen-4-ylcarbazol-9-yl)phenyl]-diphenyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)silane
• PubChem CID: 177285321
• Molecular Formula: C56H47NSSi
• Molecular Weight: 794.15 g/mol
• Exact Mass: 793.32
• IUPAC Name: [3-(2-dibenzothiophen-4-ylcarbazol-9-yl)phenyl]-diphenyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)silane
• SMILES: CC1(C)CCC(C)(C)c2cc([Si](c3ccccc3)(c3ccccc3)c3cccc(-n4c5ccccc5c5ccc(-c6cccc7c6sc6ccccc67)cc54)c3)ccc21
• InChI: InChI=1S/C56H47NSSi/c1-55(2)33-34-56(3,4)50-37-43(30-32-49(50)55)59(40-18-7-5-8-19-40,41-20-9-6-10-21-41)42-22-15-17-39(36-42)57-51-27-13-11-23-45(51)46-31-29-38(35-52(46)57)44-25-16-26-48-47-24-12-14-28-53(47)58-54(44)48/h5-32,35-37H,33-34H2,1-4H3
• InChIKey: DDSJXEAIIPSQFQ-UHFFFAOYSA-N
• XLogP: 12.55
• TPSA: 4.93 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	794.15
LogP ≤ 5	12.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

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 [3-(2-dibenzothiophen-4-ylcarbazol-9-yl)phenyl]-diphenyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)silane?

The IUPAC name of [3-(2-dibenzothiophen-4-ylcarbazol-9-yl)phenyl]-diphenyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)silane (CID 177285321) is [3-(2-dibenzothiophen-4-ylcarbazol-9-yl)phenyl]-diphenyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)silane.

What is the SMILES notation for [3-(2-dibenzothiophen-4-ylcarbazol-9-yl)phenyl]-diphenyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)silane?

The canonical SMILES for [3-(2-dibenzothiophen-4-ylcarbazol-9-yl)phenyl]-diphenyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)silane is CC1(C)CCC(C)(C)c2cc([Si](c3ccccc3)(c3ccccc3)c3cccc(-n4c5ccccc5c5ccc(-c6cccc7c6sc6ccccc67)cc54)c3)ccc21.

What is the InChIKey of [3-(2-dibenzothiophen-4-ylcarbazol-9-yl)phenyl]-diphenyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)silane?

The InChIKey is DDSJXEAIIPSQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H47NSSi/c1-55(2)33-34-56(3,4)50-37-43(30-32-49(50)55)59(40-18-7-5-8-19-40,41-20-9-6-10-21-41)42-22-15-17-39(36-42)57-51-27-13-11-23-45(51)46-31-29-38(35-52(46)57)44-25-16-26-48-47-24-12-14-28-53(47)58-54(44)48/h5-32,35-37H,33-34H2,1-4H3.

What are the key properties of [3-(2-dibenzothiophen-4-ylcarbazol-9-yl)phenyl]-diphenyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)silane?

[3-(2-dibenzothiophen-4-ylcarbazol-9-yl)phenyl]-diphenyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)silane has a molecular weight of 794.15 g/mol, XLogP of 12.55, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(2-dibenzothiophen-4-ylcarbazol-9-yl)phenyl]-diphenyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)silane is sourced from PubChem (CID 177285321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).