2,7,10,10-tetramethyl-5'-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[anthracene-9,12'-benzo[b]acridine]

C58H43NSi — CID 177278200

About 2,7,10,10-tetramethyl-5'-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[anthracene-9,12'-benzo[b]acridine]

2,7,10,10-tetramethyl-5'-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[anthracene-9,12'-benzo[b]acridine] (PubChem CID 177278200) has the molecular formula C58H43NSi and a molecular weight of 782.08 g/mol. Its IUPAC name is 2,7,10,10-tetramethyl-5'-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[anthracene-9,12'-benzo[b]acridine].

Molecular Properties

• Compound Name: 2,7,10,10-tetramethyl-5'-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[anthracene-9,12'-benzo[b]acridine]
• PubChem CID: 177278200
• Molecular Formula: C58H43NSi
• Molecular Weight: 782.08 g/mol
• Exact Mass: 781.32
• IUPAC Name: 2,7,10,10-tetramethyl-5'-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[anthracene-9,12'-benzo[b]acridine]
• SMILES: Cc1ccc2c(c1)C1(c3ccccc3N(c3ccc4c(c3)[Si]3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3cc4ccccc4cc31)c1cc(C)ccc1C2(C)C
• InChI: InChI=1S/C58H43NSi/c1-36-25-29-45-48(31-36)58(49-32-37(2)26-30-46(49)57(45,3)4)47-20-10-11-21-51(47)59(52-34-39-16-6-5-15-38(39)33-50(52)58)40-27-28-44-43-19-9-14-24-55(43)60(56(44)35-40)53-22-12-7-17-41(53)42-18-8-13-23-54(42)60/h5-35H,1-4H3
• InChIKey: RJNBEMSDOWQHOZ-UHFFFAOYSA-N
• XLogP: 11.60
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 1
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	782.08
LogP ≤ 5	11.60
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 2,7,10,10-tetramethyl-5'-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[anthracene-9,12'-benzo[b]acridine]?

The IUPAC name of 2,7,10,10-tetramethyl-5'-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[anthracene-9,12'-benzo[b]acridine] (CID 177278200) is 2,7,10,10-tetramethyl-5'-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[anthracene-9,12'-benzo[b]acridine].

What is the SMILES notation for 2,7,10,10-tetramethyl-5'-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[anthracene-9,12'-benzo[b]acridine]?

The canonical SMILES for 2,7,10,10-tetramethyl-5'-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[anthracene-9,12'-benzo[b]acridine] is Cc1ccc2c(c1)C1(c3ccccc3N(c3ccc4c(c3)[Si]3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3cc4ccccc4cc31)c1cc(C)ccc1C2(C)C.

What is the InChIKey of 2,7,10,10-tetramethyl-5'-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[anthracene-9,12'-benzo[b]acridine]?

The InChIKey is RJNBEMSDOWQHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H43NSi/c1-36-25-29-45-48(31-36)58(49-32-37(2)26-30-46(49)57(45,3)4)47-20-10-11-21-51(47)59(52-34-39-16-6-5-15-38(39)33-50(52)58)40-27-28-44-43-19-9-14-24-55(43)60(56(44)35-40)53-22-12-7-17-41(53)42-18-8-13-23-54(42)60/h5-35H,1-4H3.

What are the key properties of 2,7,10,10-tetramethyl-5'-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[anthracene-9,12'-benzo[b]acridine]?

2,7,10,10-tetramethyl-5'-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[anthracene-9,12'-benzo[b]acridine] has a molecular weight of 782.08 g/mol, XLogP of 11.60, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 2,7,10,10-tetramethyl-5'-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[anthracene-9,12'-benzo[b]acridine] is sourced from PubChem (CID 177278200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).