[3-[3-[3-(3-carbazol-9-ylphenyl)phenyl]carbazol-9-yl]phenyl]-dibenzofuran-4-yl-diphenylsilane

C66H44N2OSi — CID 89397736

About [3-[3-[3-(3-carbazol-9-ylphenyl)phenyl]carbazol-9-yl]phenyl]-dibenzofuran-4-yl-diphenylsilane

[3-[3-[3-(3-carbazol-9-ylphenyl)phenyl]carbazol-9-yl]phenyl]-dibenzofuran-4-yl-diphenylsilane (PubChem CID 89397736) has the molecular formula C66H44N2OSi and a molecular weight of 909.18 g/mol. Its IUPAC name is [3-[3-[3-(3-carbazol-9-ylphenyl)phenyl]carbazol-9-yl]phenyl]-dibenzofuran-4-yl-diphenylsilane.

Molecular Properties

• Compound Name: [3-[3-[3-(3-carbazol-9-ylphenyl)phenyl]carbazol-9-yl]phenyl]-dibenzofuran-4-yl-diphenylsilane
• PubChem CID: 89397736
• Molecular Formula: C66H44N2OSi
• Molecular Weight: 909.18 g/mol
• Exact Mass: 908.32
• IUPAC Name: [3-[3-[3-(3-carbazol-9-ylphenyl)phenyl]carbazol-9-yl]phenyl]-dibenzofuran-4-yl-diphenylsilane
• SMILES: c1ccc([Si](c2ccccc2)(c2cccc(-n3c4ccccc4c4cc(-c5cccc(-c6cccc(-n7c8ccccc8c8ccccc87)c6)c5)ccc43)c2)c2cccc3c2oc2ccccc23)cc1
• InChI: InChI=1S/C66H44N2OSi/c1-3-24-51(25-4-1)70(52-26-5-2-6-27-52,65-38-18-33-58-57-32-10-14-37-64(57)69-66(58)65)53-28-17-23-50(44-53)68-62-36-13-9-31-56(62)59-43-48(39-40-63(59)68)46-20-15-19-45(41-46)47-21-16-22-49(42-47)67-60-34-11-7-29-54(60)55-30-8-12-35-61(55)67/h1-44H
• InChIKey: OTUJQBQPSGTRER-UHFFFAOYSA-N
• XLogP: 14.49
• TPSA: 23.00 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	909.18
LogP ≤ 5	14.49
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 [3-[3-[3-(3-carbazol-9-ylphenyl)phenyl]carbazol-9-yl]phenyl]-dibenzofuran-4-yl-diphenylsilane?

The IUPAC name of [3-[3-[3-(3-carbazol-9-ylphenyl)phenyl]carbazol-9-yl]phenyl]-dibenzofuran-4-yl-diphenylsilane (CID 89397736) is [3-[3-[3-(3-carbazol-9-ylphenyl)phenyl]carbazol-9-yl]phenyl]-dibenzofuran-4-yl-diphenylsilane.

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

The canonical SMILES for [3-[3-[3-(3-carbazol-9-ylphenyl)phenyl]carbazol-9-yl]phenyl]-dibenzofuran-4-yl-diphenylsilane is c1ccc([Si](c2ccccc2)(c2cccc(-n3c4ccccc4c4cc(-c5cccc(-c6cccc(-n7c8ccccc8c8ccccc87)c6)c5)ccc43)c2)c2cccc3c2oc2ccccc23)cc1.

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

The InChIKey is OTUJQBQPSGTRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H44N2OSi/c1-3-24-51(25-4-1)70(52-26-5-2-6-27-52,65-38-18-33-58-57-32-10-14-37-64(57)69-66(58)65)53-28-17-23-50(44-53)68-62-36-13-9-31-56(62)59-43-48(39-40-63(59)68)46-20-15-19-45(41-46)47-21-16-22-49(42-47)67-60-34-11-7-29-54(60)55-30-8-12-35-61(55)67/h1-44H.

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

[3-[3-[3-(3-carbazol-9-ylphenyl)phenyl]carbazol-9-yl]phenyl]-dibenzofuran-4-yl-diphenylsilane has a molecular weight of 909.18 g/mol, XLogP of 14.49, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[3-[3-(3-carbazol-9-ylphenyl)phenyl]carbazol-9-yl]phenyl]-dibenzofuran-4-yl-diphenylsilane is sourced from PubChem (CID 89397736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).