10-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[acridine-9,7'-benzo[c]fluorene]

C53H33NSi — CID 177278234

About 10-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[acridine-9,7'-benzo[c]fluorene]

10-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[acridine-9,7'-benzo[c]fluorene] (PubChem CID 177278234) has the molecular formula C53H33NSi and a molecular weight of 711.94 g/mol. Its IUPAC name is 10-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[acridine-9,7'-benzo[c]fluorene].

Molecular Properties

• Compound Name: 10-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[acridine-9,7'-benzo[c]fluorene]
• PubChem CID: 177278234
• Molecular Formula: C53H33NSi
• Molecular Weight: 711.94 g/mol
• Exact Mass: 711.24
• IUPAC Name: 10-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[acridine-9,7'-benzo[c]fluorene]
• SMILES: c1ccc2c(c1)-c1c(ccc3ccccc13)C21c2ccccc2N(c2ccc3c(c2)[Si]2(c4ccccc4-c4ccccc42)c2ccccc2-3)c2ccccc21
• InChI: InChI=1S/C53H33NSi/c1-2-16-36-34(15-1)29-32-45-52(36)41-20-3-7-21-42(41)53(45)43-22-8-10-24-46(43)54(47-25-11-9-23-44(47)53)35-30-31-40-39-19-6-14-28-50(39)55(51(40)33-35)48-26-12-4-17-37(48)38-18-5-13-27-49(38)55/h1-33H
• InChIKey: HRWUQQLKYIDZCL-UHFFFAOYSA-N
• XLogP: 10.32
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 1
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	711.94
LogP ≤ 5	10.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 10-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[acridine-9,7'-benzo[c]fluorene]?

The IUPAC name of 10-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[acridine-9,7'-benzo[c]fluorene] (CID 177278234) is 10-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[acridine-9,7'-benzo[c]fluorene].

What is the SMILES notation for 10-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[acridine-9,7'-benzo[c]fluorene]?

The canonical SMILES for 10-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[acridine-9,7'-benzo[c]fluorene] is c1ccc2c(c1)-c1c(ccc3ccccc13)C21c2ccccc2N(c2ccc3c(c2)[Si]2(c4ccccc4-c4ccccc42)c2ccccc2-3)c2ccccc21.

What is the InChIKey of 10-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[acridine-9,7'-benzo[c]fluorene]?

The InChIKey is HRWUQQLKYIDZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33NSi/c1-2-16-36-34(15-1)29-32-45-52(36)41-20-3-7-21-42(41)53(45)43-22-8-10-24-46(43)54(47-25-11-9-23-44(47)53)35-30-31-40-39-19-6-14-28-50(39)55(51(40)33-35)48-26-12-4-17-37(48)38-18-5-13-27-49(38)55/h1-33H.

What are the key properties of 10-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[acridine-9,7'-benzo[c]fluorene]?

10-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[acridine-9,7'-benzo[c]fluorene] has a molecular weight of 711.94 g/mol, XLogP of 10.32, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 10-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[acridine-9,7'-benzo[c]fluorene] is sourced from PubChem (CID 177278234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).