24-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)-20-azaoctacyclo[18.10.1.16,9.02,7.08,13.014,19.021,26.027,31]dotriaconta-1(31),2,4,6,8,10,12,14,16,18,21(26),22,24,27,29-pentadecaene

C55H33NSi — CID 158554706

About 24-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)-20-azaoctacyclo[18.10.1.16,9.02,7.08,13.014,19.021,26.027,31]dotriaconta-1(31),2,4,6,8,10,12,14,16,18,21(26),22,24,27,29-pentadecaene

24-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)-20-azaoctacyclo[18.10.1.16,9.02,7.08,13.014,19.021,26.027,31]dotriaconta-1(31),2,4,6,8,10,12,14,16,18,21(26),22,24,27,29-pentadecaene (PubChem CID 158554706) has the molecular formula C55H33NSi and a molecular weight of 735.96 g/mol. Its IUPAC name is 24-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)-20-azaoctacyclo[18.10.1.16,9.02,7.08,13.014,19.021,26.027,31]dotriaconta-1(31),2,4,6,8,10,12,14,16,18,21(26),22,24,27,29-pentadecaene.

Molecular Properties

• Compound Name: 24-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)-20-azaoctacyclo[18.10.1.16,9.02,7.08,13.014,19.021,26.027,31]dotriaconta-1(31),2,4,6,8,10,12,14,16,18,21(26),22,24,27,29-pentadecaene
• PubChem CID: 158554706
• Molecular Formula: C55H33NSi
• Molecular Weight: 735.96 g/mol
• Exact Mass: 735.24
• IUPAC Name: 24-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)-20-azaoctacyclo[18.10.1.16,9.02,7.08,13.014,19.021,26.027,31]dotriaconta-1(31),2,4,6,8,10,12,14,16,18,21(26),22,24,27,29-pentadecaene
• SMILES: c1ccc2c(c1)-c1ccccc1[Si]21c2ccccc2-c2ccc(-c3ccc4c(c3)c3cccc5c6cccc7c6c6c(cccc6c6ccccc6n4c53)C7)cc21
• InChI: InChI=1S/C55H33NSi/c1-5-22-47-37(14-1)42-18-9-12-35-30-36-13-10-19-43(54(36)53(35)42)44-20-11-21-45-46-31-33(27-29-48(46)56(47)55(44)45)34-26-28-41-40-17-4-8-25-51(40)57(52(41)32-34)49-23-6-2-15-38(49)39-16-3-7-24-50(39)57/h1-29,31-32H,30H2
• InChIKey: JWRNCLDGVMYCKO-UHFFFAOYSA-N
• XLogP: 11.18
• TPSA: 4.41 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 1
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	735.96
LogP ≤ 5	11.18
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 24-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)-20-azaoctacyclo[18.10.1.16,9.02,7.08,13.014,19.021,26.027,31]dotriaconta-1(31),2,4,6,8,10,12,14,16,18,21(26),22,24,27,29-pentadecaene?

The IUPAC name of 24-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)-20-azaoctacyclo[18.10.1.16,9.02,7.08,13.014,19.021,26.027,31]dotriaconta-1(31),2,4,6,8,10,12,14,16,18,21(26),22,24,27,29-pentadecaene (CID 158554706) is 24-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)-20-azaoctacyclo[18.10.1.16,9.02,7.08,13.014,19.021,26.027,31]dotriaconta-1(31),2,4,6,8,10,12,14,16,18,21(26),22,24,27,29-pentadecaene.

What is the SMILES notation for 24-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)-20-azaoctacyclo[18.10.1.16,9.02,7.08,13.014,19.021,26.027,31]dotriaconta-1(31),2,4,6,8,10,12,14,16,18,21(26),22,24,27,29-pentadecaene?

The canonical SMILES for 24-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)-20-azaoctacyclo[18.10.1.16,9.02,7.08,13.014,19.021,26.027,31]dotriaconta-1(31),2,4,6,8,10,12,14,16,18,21(26),22,24,27,29-pentadecaene is c1ccc2c(c1)-c1ccccc1[Si]21c2ccccc2-c2ccc(-c3ccc4c(c3)c3cccc5c6cccc7c6c6c(cccc6c6ccccc6n4c53)C7)cc21.

What is the InChIKey of 24-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)-20-azaoctacyclo[18.10.1.16,9.02,7.08,13.014,19.021,26.027,31]dotriaconta-1(31),2,4,6,8,10,12,14,16,18,21(26),22,24,27,29-pentadecaene?

The InChIKey is JWRNCLDGVMYCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H33NSi/c1-5-22-47-37(14-1)42-18-9-12-35-30-36-13-10-19-43(54(36)53(35)42)44-20-11-21-45-46-31-33(27-29-48(46)56(47)55(44)45)34-26-28-41-40-17-4-8-25-51(40)57(52(41)32-34)49-23-6-2-15-38(49)39-16-3-7-24-50(39)57/h1-29,31-32H,30H2.

What are the key properties of 24-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)-20-azaoctacyclo[18.10.1.16,9.02,7.08,13.014,19.021,26.027,31]dotriaconta-1(31),2,4,6,8,10,12,14,16,18,21(26),22,24,27,29-pentadecaene?

24-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)-20-azaoctacyclo[18.10.1.16,9.02,7.08,13.014,19.021,26.027,31]dotriaconta-1(31),2,4,6,8,10,12,14,16,18,21(26),22,24,27,29-pentadecaene has a molecular weight of 735.96 g/mol, XLogP of 11.18, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 24-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)-20-azaoctacyclo[18.10.1.16,9.02,7.08,13.014,19.021,26.027,31]dotriaconta-1(31),2,4,6,8,10,12,14,16,18,21(26),22,24,27,29-pentadecaene is sourced from PubChem (CID 158554706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).