2,7-diphenyl-10-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[acridine-9,9'-fluorene]

C61H39NSi — CID 177278308

About 2,7-diphenyl-10-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[acridine-9,9'-fluorene]

2,7-diphenyl-10-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[acridine-9,9'-fluorene] (PubChem CID 177278308) has the molecular formula C61H39NSi and a molecular weight of 814.08 g/mol. Its IUPAC name is 2,7-diphenyl-10-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[acridine-9,9'-fluorene].

Molecular Properties

• Compound Name: 2,7-diphenyl-10-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[acridine-9,9'-fluorene]
• PubChem CID: 177278308
• Molecular Formula: C61H39NSi
• Molecular Weight: 814.08 g/mol
• Exact Mass: 813.29
• IUPAC Name: 2,7-diphenyl-10-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[acridine-9,9'-fluorene]
• SMILES: c1ccc(-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cc(-c4ccccc4)ccc2N3c2ccc3c(c2)[Si]2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1
• InChI: InChI=1S/C61H39NSi/c1-3-17-40(18-4-1)42-31-35-55-53(37-42)61(51-26-12-7-21-45(51)46-22-8-13-27-52(46)61)54-38-43(41-19-5-2-6-20-41)32-36-56(54)62(55)44-33-34-50-49-25-11-16-30-59(49)63(60(50)39-44)57-28-14-9-23-47(57)48-24-10-15-29-58(48)63/h1-39H
• InChIKey: UGPOGHGCWZRJOE-UHFFFAOYSA-N
• XLogP: 12.51
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 3
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	814.08
LogP ≤ 5	12.51
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 2,7-diphenyl-10-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[acridine-9,9'-fluorene]?

The IUPAC name of 2,7-diphenyl-10-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[acridine-9,9'-fluorene] (CID 177278308) is 2,7-diphenyl-10-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[acridine-9,9'-fluorene].

What is the SMILES notation for 2,7-diphenyl-10-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[acridine-9,9'-fluorene]?

The canonical SMILES for 2,7-diphenyl-10-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[acridine-9,9'-fluorene] is c1ccc(-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cc(-c4ccccc4)ccc2N3c2ccc3c(c2)[Si]2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1.

What is the InChIKey of 2,7-diphenyl-10-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[acridine-9,9'-fluorene]?

The InChIKey is UGPOGHGCWZRJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H39NSi/c1-3-17-40(18-4-1)42-31-35-55-53(37-42)61(51-26-12-7-21-45(51)46-22-8-13-27-52(46)61)54-38-43(41-19-5-2-6-20-41)32-36-56(54)62(55)44-33-34-50-49-25-11-16-30-59(49)63(60(50)39-44)57-28-14-9-23-47(57)48-24-10-15-29-58(48)63/h1-39H.

What are the key properties of 2,7-diphenyl-10-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[acridine-9,9'-fluorene]?

2,7-diphenyl-10-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[acridine-9,9'-fluorene] has a molecular weight of 814.08 g/mol, XLogP of 12.51, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 2,7-diphenyl-10-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[acridine-9,9'-fluorene] is sourced from PubChem (CID 177278308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).