[3-dibenzofuran-4-yl-4-(5,12-diphenylindolo[2,3-g]carbazol-4-yl)phenyl]-triphenylsilane

C66H44N2OSi — CID 172534601

About [3-dibenzofuran-4-yl-4-(5,12-diphenylindolo[2,3-g]carbazol-4-yl)phenyl]-triphenylsilane

[3-dibenzofuran-4-yl-4-(5,12-diphenylindolo[2,3-g]carbazol-4-yl)phenyl]-triphenylsilane (PubChem CID 172534601) has the molecular formula C66H44N2OSi and a molecular weight of 909.18 g/mol. Its IUPAC name is [3-dibenzofuran-4-yl-4-(5,12-diphenylindolo[2,3-g]carbazol-4-yl)phenyl]-triphenylsilane.

Molecular Properties

• Compound Name: [3-dibenzofuran-4-yl-4-(5,12-diphenylindolo[2,3-g]carbazol-4-yl)phenyl]-triphenylsilane
• PubChem CID: 172534601
• Molecular Formula: C66H44N2OSi
• Molecular Weight: 909.18 g/mol
• Exact Mass: 908.32
• IUPAC Name: [3-dibenzofuran-4-yl-4-(5,12-diphenylindolo[2,3-g]carbazol-4-yl)phenyl]-triphenylsilane
• SMILES: c1ccc(-n2c3ccc4c5ccccc5n(-c5ccccc5)c4c3c3cccc(-c4ccc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)cc4-c4cccc5c4oc4ccccc45)c32)cc1
• InChI: InChI=1S/C66H44N2OSi/c1-6-22-45(23-7-1)67-60-38-18-16-32-52(60)55-42-43-61-63(65(55)67)58-37-20-34-54(64(58)68(61)46-24-8-2-9-25-46)51-41-40-50(44-59(51)57-36-21-35-56-53-33-17-19-39-62(53)69-66(56)57)70(47-26-10-3-11-27-47,48-28-12-4-13-29-48)49-30-14-5-15-31-49/h1-44H
• InChIKey: IGKHSESCZAFWNN-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-dibenzofuran-4-yl-4-(5,12-diphenylindolo[2,3-g]carbazol-4-yl)phenyl]-triphenylsilane?

The IUPAC name of [3-dibenzofuran-4-yl-4-(5,12-diphenylindolo[2,3-g]carbazol-4-yl)phenyl]-triphenylsilane (CID 172534601) is [3-dibenzofuran-4-yl-4-(5,12-diphenylindolo[2,3-g]carbazol-4-yl)phenyl]-triphenylsilane.

What is the SMILES notation for [3-dibenzofuran-4-yl-4-(5,12-diphenylindolo[2,3-g]carbazol-4-yl)phenyl]-triphenylsilane?

The canonical SMILES for [3-dibenzofuran-4-yl-4-(5,12-diphenylindolo[2,3-g]carbazol-4-yl)phenyl]-triphenylsilane is c1ccc(-n2c3ccc4c5ccccc5n(-c5ccccc5)c4c3c3cccc(-c4ccc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)cc4-c4cccc5c4oc4ccccc45)c32)cc1.

What is the InChIKey of [3-dibenzofuran-4-yl-4-(5,12-diphenylindolo[2,3-g]carbazol-4-yl)phenyl]-triphenylsilane?

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

What are the key properties of [3-dibenzofuran-4-yl-4-(5,12-diphenylindolo[2,3-g]carbazol-4-yl)phenyl]-triphenylsilane?

[3-dibenzofuran-4-yl-4-(5,12-diphenylindolo[2,3-g]carbazol-4-yl)phenyl]-triphenylsilane 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-dibenzofuran-4-yl-4-(5,12-diphenylindolo[2,3-g]carbazol-4-yl)phenyl]-triphenylsilane is sourced from PubChem (CID 172534601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).