5,10-diphenyl-10-(4-spiro[acridine-9,9'-fluorene]-10-ylphenyl)benzo[b][1,4]benzazasiline

C55H38N2Si — CID 140886971

About 5,10-diphenyl-10-(4-spiro[acridine-9,9'-fluorene]-10-ylphenyl)benzo[b][1,4]benzazasiline

5,10-diphenyl-10-(4-spiro[acridine-9,9'-fluorene]-10-ylphenyl)benzo[b][1,4]benzazasiline (PubChem CID 140886971) has the molecular formula C55H38N2Si and a molecular weight of 755.01 g/mol. Its IUPAC name is 5,10-diphenyl-10-(4-spiro[acridine-9,9'-fluorene]-10-ylphenyl)benzo[b][1,4]benzazasiline.

Molecular Properties

• Compound Name: 5,10-diphenyl-10-(4-spiro[acridine-9,9'-fluorene]-10-ylphenyl)benzo[b][1,4]benzazasiline
• PubChem CID: 140886971
• Molecular Formula: C55H38N2Si
• Molecular Weight: 755.01 g/mol
• Exact Mass: 754.28
• IUPAC Name: 5,10-diphenyl-10-(4-spiro[acridine-9,9'-fluorene]-10-ylphenyl)benzo[b][1,4]benzazasiline
• SMILES: c1ccc(N2c3ccccc3[Si](c3ccccc3)(c3ccc(N4c5ccccc5C5(c6ccccc6-c6ccccc65)c5ccccc54)cc3)c3ccccc32)cc1
• InChI: InChI=1S/C55H38N2Si/c1-3-19-39(20-4-1)57-51-31-15-17-33-53(51)58(41-21-5-2-6-22-41,54-34-18-16-32-52(54)57)42-37-35-40(36-38-42)56-49-29-13-11-27-47(49)55(48-28-12-14-30-50(48)56)45-25-9-7-23-43(45)44-24-8-10-26-46(44)55/h1-38H
• InChIKey: HVPZHJGUOQMGIL-UHFFFAOYSA-N
• XLogP: 10.99
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	755.01
LogP ≤ 5	10.99
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 5,10-diphenyl-10-(4-spiro[acridine-9,9'-fluorene]-10-ylphenyl)benzo[b][1,4]benzazasiline?

The IUPAC name of 5,10-diphenyl-10-(4-spiro[acridine-9,9'-fluorene]-10-ylphenyl)benzo[b][1,4]benzazasiline (CID 140886971) is 5,10-diphenyl-10-(4-spiro[acridine-9,9'-fluorene]-10-ylphenyl)benzo[b][1,4]benzazasiline.

What is the SMILES notation for 5,10-diphenyl-10-(4-spiro[acridine-9,9'-fluorene]-10-ylphenyl)benzo[b][1,4]benzazasiline?

The canonical SMILES for 5,10-diphenyl-10-(4-spiro[acridine-9,9'-fluorene]-10-ylphenyl)benzo[b][1,4]benzazasiline is c1ccc(N2c3ccccc3[Si](c3ccccc3)(c3ccc(N4c5ccccc5C5(c6ccccc6-c6ccccc65)c5ccccc54)cc3)c3ccccc32)cc1.

What is the InChIKey of 5,10-diphenyl-10-(4-spiro[acridine-9,9'-fluorene]-10-ylphenyl)benzo[b][1,4]benzazasiline?

The InChIKey is HVPZHJGUOQMGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H38N2Si/c1-3-19-39(20-4-1)57-51-31-15-17-33-53(51)58(41-21-5-2-6-22-41,54-34-18-16-32-52(54)57)42-37-35-40(36-38-42)56-49-29-13-11-27-47(49)55(48-28-12-14-30-50(48)56)45-25-9-7-23-43(45)44-24-8-10-26-46(44)55/h1-38H.

What are the key properties of 5,10-diphenyl-10-(4-spiro[acridine-9,9'-fluorene]-10-ylphenyl)benzo[b][1,4]benzazasiline?

5,10-diphenyl-10-(4-spiro[acridine-9,9'-fluorene]-10-ylphenyl)benzo[b][1,4]benzazasiline has a molecular weight of 755.01 g/mol, XLogP of 10.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 5,10-diphenyl-10-(4-spiro[acridine-9,9'-fluorene]-10-ylphenyl)benzo[b][1,4]benzazasiline is sourced from PubChem (CID 140886971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).