dibenzofuran-2-yl-diphenyl-[3-[3-(3-phenylcarbazol-9-yl)-5-triphenylsilylcarbazol-9-yl]phenyl]silane

C78H54N2OSi2 — CID 171457987

About dibenzofuran-2-yl-diphenyl-[3-[3-(3-phenylcarbazol-9-yl)-5-triphenylsilylcarbazol-9-yl]phenyl]silane

dibenzofuran-2-yl-diphenyl-[3-[3-(3-phenylcarbazol-9-yl)-5-triphenylsilylcarbazol-9-yl]phenyl]silane (PubChem CID 171457987) has the molecular formula C78H54N2OSi2 and a molecular weight of 1091.48 g/mol. Its IUPAC name is dibenzofuran-2-yl-diphenyl-[3-[3-(3-phenylcarbazol-9-yl)-5-triphenylsilylcarbazol-9-yl]phenyl]silane.

Molecular Properties

• Compound Name: dibenzofuran-2-yl-diphenyl-[3-[3-(3-phenylcarbazol-9-yl)-5-triphenylsilylcarbazol-9-yl]phenyl]silane
• PubChem CID: 171457987
• Molecular Formula: C78H54N2OSi2
• Molecular Weight: 1091.48 g/mol
• Exact Mass: 1090.38
• IUPAC Name: dibenzofuran-2-yl-diphenyl-[3-[3-(3-phenylcarbazol-9-yl)-5-triphenylsilylcarbazol-9-yl]phenyl]silane
• SMILES: c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc3c(c2)c2c([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cccc2n3-c2cccc([Si](c3ccccc3)(c3ccccc3)c3ccc4oc5ccccc5c4c3)c2)cc1
• InChI: InChI=1S/C78H54N2OSi2/c1-7-25-55(26-8-1)56-45-48-72-68(51-56)66-39-19-21-41-71(66)79(72)58-46-49-73-70(53-58)78-74(42-24-44-77(78)83(61-32-13-4-14-33-61,62-34-15-5-16-35-62)63-36-17-6-18-37-63)80(73)57-27-23-38-64(52-57)82(59-28-9-2-10-29-59,60-30-11-3-12-31-60)65-47-50-76-69(54-65)67-40-20-22-43-75(67)81-76/h1-54H
• InChIKey: YYUOXIURKPPJGN-UHFFFAOYSA-N
• XLogP: 14.20
• TPSA: 23.00 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 11
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1091.48
LogP ≤ 5	14.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

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 dibenzofuran-2-yl-diphenyl-[3-[3-(3-phenylcarbazol-9-yl)-5-triphenylsilylcarbazol-9-yl]phenyl]silane?

The IUPAC name of dibenzofuran-2-yl-diphenyl-[3-[3-(3-phenylcarbazol-9-yl)-5-triphenylsilylcarbazol-9-yl]phenyl]silane (CID 171457987) is dibenzofuran-2-yl-diphenyl-[3-[3-(3-phenylcarbazol-9-yl)-5-triphenylsilylcarbazol-9-yl]phenyl]silane.

What is the SMILES notation for dibenzofuran-2-yl-diphenyl-[3-[3-(3-phenylcarbazol-9-yl)-5-triphenylsilylcarbazol-9-yl]phenyl]silane?

The canonical SMILES for dibenzofuran-2-yl-diphenyl-[3-[3-(3-phenylcarbazol-9-yl)-5-triphenylsilylcarbazol-9-yl]phenyl]silane is c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc3c(c2)c2c([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cccc2n3-c2cccc([Si](c3ccccc3)(c3ccccc3)c3ccc4oc5ccccc5c4c3)c2)cc1.

What is the InChIKey of dibenzofuran-2-yl-diphenyl-[3-[3-(3-phenylcarbazol-9-yl)-5-triphenylsilylcarbazol-9-yl]phenyl]silane?

The InChIKey is YYUOXIURKPPJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H54N2OSi2/c1-7-25-55(26-8-1)56-45-48-72-68(51-56)66-39-19-21-41-71(66)79(72)58-46-49-73-70(53-58)78-74(42-24-44-77(78)83(61-32-13-4-14-33-61,62-34-15-5-16-35-62)63-36-17-6-18-37-63)80(73)57-27-23-38-64(52-57)82(59-28-9-2-10-29-59,60-30-11-3-12-31-60)65-47-50-76-69(54-65)67-40-20-22-43-75(67)81-76/h1-54H.

What are the key properties of dibenzofuran-2-yl-diphenyl-[3-[3-(3-phenylcarbazol-9-yl)-5-triphenylsilylcarbazol-9-yl]phenyl]silane?

dibenzofuran-2-yl-diphenyl-[3-[3-(3-phenylcarbazol-9-yl)-5-triphenylsilylcarbazol-9-yl]phenyl]silane has a molecular weight of 1091.48 g/mol, XLogP of 14.20, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for dibenzofuran-2-yl-diphenyl-[3-[3-(3-phenylcarbazol-9-yl)-5-triphenylsilylcarbazol-9-yl]phenyl]silane is sourced from PubChem (CID 171457987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).