[8-[10-(7,7-dimethylbenzo[g]fluoren-9-yl)anthracen-9-yl]dibenzofuran-1-yl]-triphenylsilane

C63H44OSi — CID 156626196

About [8-[10-(7,7-dimethylbenzo[g]fluoren-9-yl)anthracen-9-yl]dibenzofuran-1-yl]-triphenylsilane

[8-[10-(7,7-dimethylbenzo[g]fluoren-9-yl)anthracen-9-yl]dibenzofuran-1-yl]-triphenylsilane (PubChem CID 156626196) has the molecular formula C63H44OSi and a molecular weight of 845.13 g/mol. Its IUPAC name is [8-[10-(7,7-dimethylbenzo[g]fluoren-9-yl)anthracen-9-yl]dibenzofuran-1-yl]-triphenylsilane.

Molecular Properties

• Compound Name: [8-[10-(7,7-dimethylbenzo[g]fluoren-9-yl)anthracen-9-yl]dibenzofuran-1-yl]-triphenylsilane
• PubChem CID: 156626196
• Molecular Formula: C63H44OSi
• Molecular Weight: 845.13 g/mol
• Exact Mass: 844.32
• IUPAC Name: [8-[10-(7,7-dimethylbenzo[g]fluoren-9-yl)anthracen-9-yl]dibenzofuran-1-yl]-triphenylsilane
• SMILES: CC1(C)c2cc(-c3c4ccccc4c(-c4ccc5oc6cccc([Si](c7ccccc7)(c7ccccc7)c7ccccc7)c6c5c4)c4ccccc34)ccc2-c2c1ccc1ccccc21
• InChI: InChI=1S/C63H44OSi/c1-63(2)54-37-34-41-19-12-13-26-47(41)61(54)52-36-33-43(40-55(52)63)60-50-29-16-14-27-48(50)59(49-28-15-17-30-51(49)60)42-35-38-56-53(39-42)62-57(64-56)31-18-32-58(62)65(44-20-6-3-7-21-44,45-22-8-4-9-23-45)46-24-10-5-11-25-46/h3-40H,1-2H3
• InChIKey: KSLXHIGJGHQQFW-UHFFFAOYSA-N
• XLogP: 14.06
• TPSA: 13.14 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 6
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	845.13
LogP ≤ 5	14.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [8-[10-(7,7-dimethylbenzo[g]fluoren-9-yl)anthracen-9-yl]dibenzofuran-1-yl]-triphenylsilane?

The IUPAC name of [8-[10-(7,7-dimethylbenzo[g]fluoren-9-yl)anthracen-9-yl]dibenzofuran-1-yl]-triphenylsilane (CID 156626196) is [8-[10-(7,7-dimethylbenzo[g]fluoren-9-yl)anthracen-9-yl]dibenzofuran-1-yl]-triphenylsilane.

What is the SMILES notation for [8-[10-(7,7-dimethylbenzo[g]fluoren-9-yl)anthracen-9-yl]dibenzofuran-1-yl]-triphenylsilane?

The canonical SMILES for [8-[10-(7,7-dimethylbenzo[g]fluoren-9-yl)anthracen-9-yl]dibenzofuran-1-yl]-triphenylsilane is CC1(C)c2cc(-c3c4ccccc4c(-c4ccc5oc6cccc([Si](c7ccccc7)(c7ccccc7)c7ccccc7)c6c5c4)c4ccccc34)ccc2-c2c1ccc1ccccc21.

What is the InChIKey of [8-[10-(7,7-dimethylbenzo[g]fluoren-9-yl)anthracen-9-yl]dibenzofuran-1-yl]-triphenylsilane?

The InChIKey is KSLXHIGJGHQQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H44OSi/c1-63(2)54-37-34-41-19-12-13-26-47(41)61(54)52-36-33-43(40-55(52)63)60-50-29-16-14-27-48(50)59(49-28-15-17-30-51(49)60)42-35-38-56-53(39-42)62-57(64-56)31-18-32-58(62)65(44-20-6-3-7-21-44,45-22-8-4-9-23-45)46-24-10-5-11-25-46/h3-40H,1-2H3.

What are the key properties of [8-[10-(7,7-dimethylbenzo[g]fluoren-9-yl)anthracen-9-yl]dibenzofuran-1-yl]-triphenylsilane?

[8-[10-(7,7-dimethylbenzo[g]fluoren-9-yl)anthracen-9-yl]dibenzofuran-1-yl]-triphenylsilane has a molecular weight of 845.13 g/mol, XLogP of 14.06, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for [8-[10-(7,7-dimethylbenzo[g]fluoren-9-yl)anthracen-9-yl]dibenzofuran-1-yl]-triphenylsilane is sourced from PubChem (CID 156626196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).