10-(9'-phenyl-5,5'-spirobi[benzo[b][1]benzosilole]-3'-yl)spiro[acridine-9,9'-thioxanthene]

C55H35NSSi — CID 177278203

About 10-(9'-phenyl-5,5'-spirobi[benzo[b][1]benzosilole]-3'-yl)spiro[acridine-9,9'-thioxanthene]

10-(9'-phenyl-5,5'-spirobi[benzo[b][1]benzosilole]-3'-yl)spiro[acridine-9,9'-thioxanthene] (PubChem CID 177278203) has the molecular formula C55H35NSSi and a molecular weight of 770.05 g/mol. Its IUPAC name is 10-(9'-phenyl-5,5'-spirobi[benzo[b][1]benzosilole]-3'-yl)spiro[acridine-9,9'-thioxanthene].

Molecular Properties

• Compound Name: 10-(9'-phenyl-5,5'-spirobi[benzo[b][1]benzosilole]-3'-yl)spiro[acridine-9,9'-thioxanthene]
• PubChem CID: 177278203
• Molecular Formula: C55H35NSSi
• Molecular Weight: 770.05 g/mol
• Exact Mass: 769.23
• IUPAC Name: 10-(9'-phenyl-5,5'-spirobi[benzo[b][1]benzosilole]-3'-yl)spiro[acridine-9,9'-thioxanthene]
• SMILES: c1ccc(-c2cccc3c2-c2ccc(N4c5ccccc5C5(c6ccccc6Sc6ccccc65)c5ccccc54)cc2[Si]32c3ccccc3-c3ccccc32)cc1
• InChI: InChI=1S/C55H35NSSi/c1-2-17-36(18-3-1)38-21-16-32-52-54(38)41-34-33-37(35-53(41)58(52)50-30-14-4-19-39(50)40-20-5-15-31-51(40)58)56-46-26-10-6-22-42(46)55(43-23-7-11-27-47(43)56)44-24-8-12-28-48(44)57-49-29-13-9-25-45(49)55/h1-35H
• InChIKey: YQMATKOTECOINC-UHFFFAOYSA-N
• XLogP: 11.32
• TPSA: 3.24 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	770.05
LogP ≤ 5	11.32
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-(9'-phenyl-5,5'-spirobi[benzo[b][1]benzosilole]-3'-yl)spiro[acridine-9,9'-thioxanthene]?

The IUPAC name of 10-(9'-phenyl-5,5'-spirobi[benzo[b][1]benzosilole]-3'-yl)spiro[acridine-9,9'-thioxanthene] (CID 177278203) is 10-(9'-phenyl-5,5'-spirobi[benzo[b][1]benzosilole]-3'-yl)spiro[acridine-9,9'-thioxanthene].

What is the SMILES notation for 10-(9'-phenyl-5,5'-spirobi[benzo[b][1]benzosilole]-3'-yl)spiro[acridine-9,9'-thioxanthene]?

The canonical SMILES for 10-(9'-phenyl-5,5'-spirobi[benzo[b][1]benzosilole]-3'-yl)spiro[acridine-9,9'-thioxanthene] is c1ccc(-c2cccc3c2-c2ccc(N4c5ccccc5C5(c6ccccc6Sc6ccccc65)c5ccccc54)cc2[Si]32c3ccccc3-c3ccccc32)cc1.

What is the InChIKey of 10-(9'-phenyl-5,5'-spirobi[benzo[b][1]benzosilole]-3'-yl)spiro[acridine-9,9'-thioxanthene]?

The InChIKey is YQMATKOTECOINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35NSSi/c1-2-17-36(18-3-1)38-21-16-32-52-54(38)41-34-33-37(35-53(41)58(52)50-30-14-4-19-39(50)40-20-5-15-31-51(40)58)56-46-26-10-6-22-42(46)55(43-23-7-11-27-47(43)56)44-24-8-12-28-48(44)57-49-29-13-9-25-45(49)55/h1-35H.

What are the key properties of 10-(9'-phenyl-5,5'-spirobi[benzo[b][1]benzosilole]-3'-yl)spiro[acridine-9,9'-thioxanthene]?

10-(9'-phenyl-5,5'-spirobi[benzo[b][1]benzosilole]-3'-yl)spiro[acridine-9,9'-thioxanthene] has a molecular weight of 770.05 g/mol, XLogP of 11.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 10-(9'-phenyl-5,5'-spirobi[benzo[b][1]benzosilole]-3'-yl)spiro[acridine-9,9'-thioxanthene] is sourced from PubChem (CID 177278203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).