dibenzofuran-4-yl-[9-[9-[4-[diphenyl-(3-phenylphenyl)silyl]phenyl]carbazol-4-yl]carbazol-4-yl]-diphenylsilane

C78H54N2OSi2 — CID 171458316

About dibenzofuran-4-yl-[9-[9-[4-[diphenyl-(3-phenylphenyl)silyl]phenyl]carbazol-4-yl]carbazol-4-yl]-diphenylsilane

dibenzofuran-4-yl-[9-[9-[4-[diphenyl-(3-phenylphenyl)silyl]phenyl]carbazol-4-yl]carbazol-4-yl]-diphenylsilane (PubChem CID 171458316) has the molecular formula C78H54N2OSi2 and a molecular weight of 1091.48 g/mol. Its IUPAC name is dibenzofuran-4-yl-[9-[9-[4-[diphenyl-(3-phenylphenyl)silyl]phenyl]carbazol-4-yl]carbazol-4-yl]-diphenylsilane.

Molecular Properties

• Compound Name: dibenzofuran-4-yl-[9-[9-[4-[diphenyl-(3-phenylphenyl)silyl]phenyl]carbazol-4-yl]carbazol-4-yl]-diphenylsilane
• PubChem CID: 171458316
• Molecular Formula: C78H54N2OSi2
• Molecular Weight: 1091.48 g/mol
• Exact Mass: 1090.38
• IUPAC Name: dibenzofuran-4-yl-[9-[9-[4-[diphenyl-(3-phenylphenyl)silyl]phenyl]carbazol-4-yl]carbazol-4-yl]-diphenylsilane
• SMILES: c1ccc(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3ccc(-n4c5ccccc5c5c(-n6c7ccccc7c7c([Si](c8ccccc8)(c8ccccc8)c8cccc9c8oc8ccccc89)cccc76)cccc54)cc3)c2)cc1
• InChI: InChI=1S/C78H54N2OSi2/c1-6-26-55(27-7-1)56-28-22-37-63(54-56)82(58-29-8-2-9-30-58,59-31-10-3-11-32-59)62-52-50-57(51-53-62)79-68-42-19-16-39-66(68)76-70(79)44-24-45-71(76)80-69-43-20-17-40-67(69)77-72(80)46-25-48-74(77)83(60-33-12-4-13-34-60,61-35-14-5-15-36-61)75-49-23-41-65-64-38-18-21-47-73(64)81-78(65)75/h1-54H
• InChIKey: KCYVZLVZFLVROS-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-4-yl-[9-[9-[4-[diphenyl-(3-phenylphenyl)silyl]phenyl]carbazol-4-yl]carbazol-4-yl]-diphenylsilane?

The IUPAC name of dibenzofuran-4-yl-[9-[9-[4-[diphenyl-(3-phenylphenyl)silyl]phenyl]carbazol-4-yl]carbazol-4-yl]-diphenylsilane (CID 171458316) is dibenzofuran-4-yl-[9-[9-[4-[diphenyl-(3-phenylphenyl)silyl]phenyl]carbazol-4-yl]carbazol-4-yl]-diphenylsilane.

What is the SMILES notation for dibenzofuran-4-yl-[9-[9-[4-[diphenyl-(3-phenylphenyl)silyl]phenyl]carbazol-4-yl]carbazol-4-yl]-diphenylsilane?

The canonical SMILES for dibenzofuran-4-yl-[9-[9-[4-[diphenyl-(3-phenylphenyl)silyl]phenyl]carbazol-4-yl]carbazol-4-yl]-diphenylsilane is c1ccc(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3ccc(-n4c5ccccc5c5c(-n6c7ccccc7c7c([Si](c8ccccc8)(c8ccccc8)c8cccc9c8oc8ccccc89)cccc76)cccc54)cc3)c2)cc1.

What is the InChIKey of dibenzofuran-4-yl-[9-[9-[4-[diphenyl-(3-phenylphenyl)silyl]phenyl]carbazol-4-yl]carbazol-4-yl]-diphenylsilane?

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

What are the key properties of dibenzofuran-4-yl-[9-[9-[4-[diphenyl-(3-phenylphenyl)silyl]phenyl]carbazol-4-yl]carbazol-4-yl]-diphenylsilane?

dibenzofuran-4-yl-[9-[9-[4-[diphenyl-(3-phenylphenyl)silyl]phenyl]carbazol-4-yl]carbazol-4-yl]-diphenylsilane 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-4-yl-[9-[9-[4-[diphenyl-(3-phenylphenyl)silyl]phenyl]carbazol-4-yl]carbazol-4-yl]-diphenylsilane is sourced from PubChem (CID 171458316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).