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

C56H47NOSi — CID 177285307

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

[3-(4-dibenzofuran-2-ylcarbazol-9-yl)phenyl]-diphenyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)silane (PubChem CID 177285307) has the molecular formula C56H47NOSi and a molecular weight of 778.08 g/mol. Its IUPAC name is [3-(4-dibenzofuran-2-ylcarbazol-9-yl)phenyl]-diphenyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)silane.

Molecular Properties

• Compound Name: [3-(4-dibenzofuran-2-ylcarbazol-9-yl)phenyl]-diphenyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)silane
• PubChem CID: 177285307
• Molecular Formula: C56H47NOSi
• Molecular Weight: 778.08 g/mol
• Exact Mass: 777.34
• IUPAC Name: [3-(4-dibenzofuran-2-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(-n4c5ccccc5c5c(-c6ccc7oc8ccccc8c7c6)cccc54)c3)ccc21
• InChI: InChI=1S/C56H47NOSi/c1-55(2)33-34-56(3,4)49-37-43(30-31-48(49)55)59(40-18-7-5-8-19-40,41-20-9-6-10-21-41)42-22-15-17-39(36-42)57-50-26-13-11-24-46(50)54-44(25-16-27-51(54)57)38-29-32-53-47(35-38)45-23-12-14-28-52(45)58-53/h5-32,35-37H,33-34H2,1-4H3
• InChIKey: MHHGUAIIAJNLAJ-UHFFFAOYSA-N
• XLogP: 12.08
• TPSA: 18.07 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	778.08
LogP ≤ 5	12.08
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-(4-dibenzofuran-2-ylcarbazol-9-yl)phenyl]-diphenyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)silane?

The IUPAC name of [3-(4-dibenzofuran-2-ylcarbazol-9-yl)phenyl]-diphenyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)silane (CID 177285307) is [3-(4-dibenzofuran-2-ylcarbazol-9-yl)phenyl]-diphenyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)silane.

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

The canonical SMILES for [3-(4-dibenzofuran-2-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(-n4c5ccccc5c5c(-c6ccc7oc8ccccc8c7c6)cccc54)c3)ccc21.

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

The InChIKey is MHHGUAIIAJNLAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H47NOSi/c1-55(2)33-34-56(3,4)49-37-43(30-31-48(49)55)59(40-18-7-5-8-19-40,41-20-9-6-10-21-41)42-22-15-17-39(36-42)57-50-26-13-11-24-46(50)54-44(25-16-27-51(54)57)38-29-32-53-47(35-38)45-23-12-14-28-52(45)58-53/h5-32,35-37H,33-34H2,1-4H3.

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

[3-(4-dibenzofuran-2-ylcarbazol-9-yl)phenyl]-diphenyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)silane has a molecular weight of 778.08 g/mol, XLogP of 12.08, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(4-dibenzofuran-2-ylcarbazol-9-yl)phenyl]-diphenyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)silane is sourced from PubChem (CID 177285307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).