10-[2-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)phenyl]spiro[acridine-9,9'-xanthene]

C55H35NOSi — CID 177278339

About 10-[2-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)phenyl]spiro[acridine-9,9'-xanthene]

10-[2-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)phenyl]spiro[acridine-9,9'-xanthene] (PubChem CID 177278339) has the molecular formula C55H35NOSi and a molecular weight of 753.98 g/mol. Its IUPAC name is 10-[2-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)phenyl]spiro[acridine-9,9'-xanthene].

Molecular Properties

• Compound Name: 10-[2-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)phenyl]spiro[acridine-9,9'-xanthene]
• PubChem CID: 177278339
• Molecular Formula: C55H35NOSi
• Molecular Weight: 753.98 g/mol
• Exact Mass: 753.25
• IUPAC Name: 10-[2-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)phenyl]spiro[acridine-9,9'-xanthene]
• SMILES: c1ccc2c(c1)Oc1ccccc1C21c2ccccc2N(c2ccccc2-c2ccc3c(c2)[Si]2(c4ccccc4-c4ccccc42)c2ccccc2-3)c2ccccc21
• InChI: InChI=1S/C55H35NOSi/c1-9-25-46(56-47-26-10-5-21-42(47)55(43-22-6-11-27-48(43)56)44-23-7-12-28-49(44)57-50-29-13-8-24-45(50)55)37(17-1)36-33-34-41-40-20-4-16-32-53(40)58(54(41)35-36)51-30-14-2-18-38(51)39-19-3-15-31-52(39)58/h1-35H
• InChIKey: GUXCXLJMUAODDC-UHFFFAOYSA-N
• XLogP: 10.96
• TPSA: 12.47 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	753.98
LogP ≤ 5	10.96
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-[2-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)phenyl]spiro[acridine-9,9'-xanthene]?

The IUPAC name of 10-[2-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)phenyl]spiro[acridine-9,9'-xanthene] (CID 177278339) is 10-[2-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)phenyl]spiro[acridine-9,9'-xanthene].

What is the SMILES notation for 10-[2-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)phenyl]spiro[acridine-9,9'-xanthene]?

The canonical SMILES for 10-[2-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)phenyl]spiro[acridine-9,9'-xanthene] is c1ccc2c(c1)Oc1ccccc1C21c2ccccc2N(c2ccccc2-c2ccc3c(c2)[Si]2(c4ccccc4-c4ccccc42)c2ccccc2-3)c2ccccc21.

What is the InChIKey of 10-[2-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)phenyl]spiro[acridine-9,9'-xanthene]?

The InChIKey is GUXCXLJMUAODDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35NOSi/c1-9-25-46(56-47-26-10-5-21-42(47)55(43-22-6-11-27-48(43)56)44-23-7-12-28-49(44)57-50-29-13-8-24-45(50)55)37(17-1)36-33-34-41-40-20-4-16-32-53(40)58(54(41)35-36)51-30-14-2-18-38(51)39-19-3-15-31-52(39)58/h1-35H.

What are the key properties of 10-[2-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)phenyl]spiro[acridine-9,9'-xanthene]?

10-[2-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)phenyl]spiro[acridine-9,9'-xanthene] has a molecular weight of 753.98 g/mol, XLogP of 10.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[2-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)phenyl]spiro[acridine-9,9'-xanthene] is sourced from PubChem (CID 177278339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).