7-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[benzo[a]acridine-12,9'-fluorene]

C53H33NSi — CID 177278340

About 7-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[benzo[a]acridine-12,9'-fluorene]

7-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[benzo[a]acridine-12,9'-fluorene] (PubChem CID 177278340) has the molecular formula C53H33NSi and a molecular weight of 711.94 g/mol. Its IUPAC name is 7-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[benzo[a]acridine-12,9'-fluorene].

Molecular Properties

• Compound Name: 7-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[benzo[a]acridine-12,9'-fluorene]
• PubChem CID: 177278340
• Molecular Formula: C53H33NSi
• Molecular Weight: 711.94 g/mol
• Exact Mass: 711.24
• IUPAC Name: 7-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[benzo[a]acridine-12,9'-fluorene]
• SMILES: c1ccc2c(c1)-c1ccccc1C21c2ccccc2N(c2ccc3c(c2)[Si]2(c4ccccc4-c4ccccc42)c2ccccc2-3)c2ccc3ccccc3c21
• InChI: InChI=1S/C53H33NSi/c1-2-16-36-34(15-1)29-32-47-52(36)53(43-22-8-3-17-37(43)38-18-4-9-23-44(38)53)45-24-10-11-25-46(45)54(47)35-30-31-42-41-21-7-14-28-50(41)55(51(42)33-35)48-26-12-5-19-39(48)40-20-6-13-27-49(40)55/h1-33H
• InChIKey: VLUVHVWCBRLBOG-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 7-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[benzo[a]acridine-12,9'-fluorene]?

The IUPAC name of 7-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[benzo[a]acridine-12,9'-fluorene] (CID 177278340) is 7-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[benzo[a]acridine-12,9'-fluorene].

What is the SMILES notation for 7-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[benzo[a]acridine-12,9'-fluorene]?

The canonical SMILES for 7-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[benzo[a]acridine-12,9'-fluorene] is c1ccc2c(c1)-c1ccccc1C21c2ccccc2N(c2ccc3c(c2)[Si]2(c4ccccc4-c4ccccc42)c2ccccc2-3)c2ccc3ccccc3c21.

What is the InChIKey of 7-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[benzo[a]acridine-12,9'-fluorene]?

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

What are the key properties of 7-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[benzo[a]acridine-12,9'-fluorene]?

7-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[benzo[a]acridine-12,9'-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 7-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[benzo[a]acridine-12,9'-fluorene] is sourced from PubChem (CID 177278340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).