1,3,7,9-tetraphenyl-5,5,11,11-tetrakis(prop-2-enyl)-2,4,6,8,10,12,13,14-octaoxa-1,3,5,7,9,11-hexasilatricyclo[7.3.1.13,7]tetradecane

C36H40O8Si6 — CID 177446580

About 1,3,7,9-tetraphenyl-5,5,11,11-tetrakis(prop-2-enyl)-2,4,6,8,10,12,13,14-octaoxa-1,3,5,7,9,11-hexasilatricyclo[7.3.1.13,7]tetradecane

1,3,7,9-tetraphenyl-5,5,11,11-tetrakis(prop-2-enyl)-2,4,6,8,10,12,13,14-octaoxa-1,3,5,7,9,11-hexasilatricyclo[7.3.1.13,7]tetradecane (PubChem CID 177446580) has the molecular formula C36H40O8Si6 and a molecular weight of 769.22 g/mol. Its IUPAC name is 1,3,7,9-tetraphenyl-5,5,11,11-tetrakis(prop-2-enyl)-2,4,6,8,10,12,13,14-octaoxa-1,3,5,7,9,11-hexasilatricyclo[7.3.1.13,7]tetradecane.

Molecular Properties

• Compound Name: 1,3,7,9-tetraphenyl-5,5,11,11-tetrakis(prop-2-enyl)-2,4,6,8,10,12,13,14-octaoxa-1,3,5,7,9,11-hexasilatricyclo[7.3.1.13,7]tetradecane
• PubChem CID: 177446580
• Molecular Formula: C36H40O8Si6
• Molecular Weight: 769.22 g/mol
• Exact Mass: 768.13
• IUPAC Name: 1,3,7,9-tetraphenyl-5,5,11,11-tetrakis(prop-2-enyl)-2,4,6,8,10,12,13,14-octaoxa-1,3,5,7,9,11-hexasilatricyclo[7.3.1.13,7]tetradecane
• SMILES: C=CC[Si]1(CC=C)O[Si]2(c3ccccc3)O[Si](c3ccccc3)(O1)O[Si]1(c3ccccc3)O[Si](CC=C)(CC=C)O[Si](c3ccccc3)(O1)O2
• InChI: InChI=1S/C36H40O8Si6/c1-5-29-45(30-6-2)37-47(33-21-13-9-14-22-33)41-48(38-45,34-23-15-10-16-24-34)44-50(36-27-19-12-20-28-36)40-46(31-7-3,32-8-4)39-49(42-50,43-47)35-25-17-11-18-26-35/h5-28H,1-4,29-32H2
• InChIKey: RZDHTPRBJDBJNG-UHFFFAOYSA-N
• XLogP: 5.17
• TPSA: 73.84 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	769.22
LogP ≤ 5	5.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,3,7,9-tetraphenyl-5,5,11,11-tetrakis(prop-2-enyl)-2,4,6,8,10,12,13,14-octaoxa-1,3,5,7,9,11-hexasilatricyclo[7.3.1.13,7]tetradecane?

The IUPAC name of 1,3,7,9-tetraphenyl-5,5,11,11-tetrakis(prop-2-enyl)-2,4,6,8,10,12,13,14-octaoxa-1,3,5,7,9,11-hexasilatricyclo[7.3.1.13,7]tetradecane (CID 177446580) is 1,3,7,9-tetraphenyl-5,5,11,11-tetrakis(prop-2-enyl)-2,4,6,8,10,12,13,14-octaoxa-1,3,5,7,9,11-hexasilatricyclo[7.3.1.13,7]tetradecane.

What is the SMILES notation for 1,3,7,9-tetraphenyl-5,5,11,11-tetrakis(prop-2-enyl)-2,4,6,8,10,12,13,14-octaoxa-1,3,5,7,9,11-hexasilatricyclo[7.3.1.13,7]tetradecane?

The canonical SMILES for 1,3,7,9-tetraphenyl-5,5,11,11-tetrakis(prop-2-enyl)-2,4,6,8,10,12,13,14-octaoxa-1,3,5,7,9,11-hexasilatricyclo[7.3.1.13,7]tetradecane is C=CC[Si]1(CC=C)O[Si]2(c3ccccc3)O[Si](c3ccccc3)(O1)O[Si]1(c3ccccc3)O[Si](CC=C)(CC=C)O[Si](c3ccccc3)(O1)O2.

What is the InChIKey of 1,3,7,9-tetraphenyl-5,5,11,11-tetrakis(prop-2-enyl)-2,4,6,8,10,12,13,14-octaoxa-1,3,5,7,9,11-hexasilatricyclo[7.3.1.13,7]tetradecane?

The InChIKey is RZDHTPRBJDBJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H40O8Si6/c1-5-29-45(30-6-2)37-47(33-21-13-9-14-22-33)41-48(38-45,34-23-15-10-16-24-34)44-50(36-27-19-12-20-28-36)40-46(31-7-3,32-8-4)39-49(42-50,43-47)35-25-17-11-18-26-35/h5-28H,1-4,29-32H2.

What are the key properties of 1,3,7,9-tetraphenyl-5,5,11,11-tetrakis(prop-2-enyl)-2,4,6,8,10,12,13,14-octaoxa-1,3,5,7,9,11-hexasilatricyclo[7.3.1.13,7]tetradecane?

1,3,7,9-tetraphenyl-5,5,11,11-tetrakis(prop-2-enyl)-2,4,6,8,10,12,13,14-octaoxa-1,3,5,7,9,11-hexasilatricyclo[7.3.1.13,7]tetradecane has a molecular weight of 769.22 g/mol, XLogP of 5.17, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3,7,9-tetraphenyl-5,5,11,11-tetrakis(prop-2-enyl)-2,4,6,8,10,12,13,14-octaoxa-1,3,5,7,9,11-hexasilatricyclo[7.3.1.13,7]tetradecane is sourced from PubChem (CID 177446580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).