10-[4-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2-yl)phenyl]-9,9-dimethylacridine

C58H43NSSi — CID 146785858

About 10-[4-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2-yl)phenyl]-9,9-dimethylacridine

10-[4-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2-yl)phenyl]-9,9-dimethylacridine (PubChem CID 146785858) has the molecular formula C58H43NSSi and a molecular weight of 814.14 g/mol. Its IUPAC name is 10-[4-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2-yl)phenyl]-9,9-dimethylacridine.

Molecular Properties

• Compound Name: 10-[4-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2-yl)phenyl]-9,9-dimethylacridine
• PubChem CID: 146785858
• Molecular Formula: C58H43NSSi
• Molecular Weight: 814.14 g/mol
• Exact Mass: 813.29
• IUPAC Name: 10-[4-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2-yl)phenyl]-9,9-dimethylacridine
• SMILES: CC1(C)c2ccccc2N(c2ccc(-c3ccc4c(c3)C3(c5ccccc5Sc5ccccc53)c3ccccc3[Si]4(c3ccccc3)c3ccccc3)cc2)c2ccccc21
• InChI: InChI=1S/C58H43NSSi/c1-57(2)45-23-9-14-28-51(45)59(52-29-15-10-24-46(52)57)42-36-33-40(34-37-42)41-35-38-56-50(39-41)58(47-25-11-16-30-53(47)60-54-31-17-12-26-48(54)58)49-27-13-18-32-55(49)61(56,43-19-5-3-6-20-43)44-21-7-4-8-22-44/h3-39H,1-2H3
• InChIKey: RUVRXKSESGFOPT-UHFFFAOYSA-N
• XLogP: 12.00
• TPSA: 3.24 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	814.14
LogP ≤ 5	12.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 10-[4-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2-yl)phenyl]-9,9-dimethylacridine?

The IUPAC name of 10-[4-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2-yl)phenyl]-9,9-dimethylacridine (CID 146785858) is 10-[4-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2-yl)phenyl]-9,9-dimethylacridine.

What is the SMILES notation for 10-[4-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2-yl)phenyl]-9,9-dimethylacridine?

The canonical SMILES for 10-[4-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2-yl)phenyl]-9,9-dimethylacridine is CC1(C)c2ccccc2N(c2ccc(-c3ccc4c(c3)C3(c5ccccc5Sc5ccccc53)c3ccccc3[Si]4(c3ccccc3)c3ccccc3)cc2)c2ccccc21.

What is the InChIKey of 10-[4-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2-yl)phenyl]-9,9-dimethylacridine?

The InChIKey is RUVRXKSESGFOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H43NSSi/c1-57(2)45-23-9-14-28-51(45)59(52-29-15-10-24-46(52)57)42-36-33-40(34-37-42)41-35-38-56-50(39-41)58(47-25-11-16-30-53(47)60-54-31-17-12-26-48(54)58)49-27-13-18-32-55(49)61(56,43-19-5-3-6-20-43)44-21-7-4-8-22-44/h3-39H,1-2H3.

What are the key properties of 10-[4-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2-yl)phenyl]-9,9-dimethylacridine?

10-[4-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2-yl)phenyl]-9,9-dimethylacridine has a molecular weight of 814.14 g/mol, XLogP of 12.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[4-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2-yl)phenyl]-9,9-dimethylacridine is sourced from PubChem (CID 146785858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).