(5,9-dihydroxy-1,3,5,7,9,11-hexakis-phenyl-2,4,6,8,10,12,13-heptaoxa-1,3,5,7,9,11-hexasilabicyclo[5.5.1]tridecan-3-yl)oxy-hydroxy-methoxy-phenylsilane

C43H42O12Si7 — CID 123629525

About (5,9-dihydroxy-1,3,5,7,9,11-hexakis-phenyl-2,4,6,8,10,12,13-heptaoxa-1,3,5,7,9,11-hexasilabicyclo[5.5.1]tridecan-3-yl)oxy-hydroxy-methoxy-phenylsilane

(5,9-dihydroxy-1,3,5,7,9,11-hexakis-phenyl-2,4,6,8,10,12,13-heptaoxa-1,3,5,7,9,11-hexasilabicyclo[5.5.1]tridecan-3-yl)oxy-hydroxy-methoxy-phenylsilane (PubChem CID 123629525) has the molecular formula C43H42O12Si7 and a molecular weight of 947.40 g/mol. Its IUPAC name is (5,9-dihydroxy-1,3,5,7,9,11-hexakis-phenyl-2,4,6,8,10,12,13-heptaoxa-1,3,5,7,9,11-hexasilabicyclo[5.5.1]tridecan-3-yl)oxy-hydroxy-methoxy-phenylsilane.

Molecular Properties

• Compound Name: (5,9-dihydroxy-1,3,5,7,9,11-hexakis-phenyl-2,4,6,8,10,12,13-heptaoxa-1,3,5,7,9,11-hexasilabicyclo[5.5.1]tridecan-3-yl)oxy-hydroxy-methoxy-phenylsilane
• PubChem CID: 123629525
• Molecular Formula: C43H42O12Si7
• Molecular Weight: 947.40 g/mol
• Exact Mass: 946.11
• IUPAC Name: (5,9-dihydroxy-1,3,5,7,9,11-hexakis-phenyl-2,4,6,8,10,12,13-heptaoxa-1,3,5,7,9,11-hexasilabicyclo[5.5.1]tridecan-3-yl)oxy-hydroxy-methoxy-phenylsilane
• SMILES: CO[Si](O)(O[Si]1(c2ccccc2)O[Si](O)(c2ccccc2)O[Si]2(c3ccccc3)O[Si](O)(c3ccccc3)O[SiH](c3ccccc3)O[Si](c3ccccc3)(O1)O2)c1ccccc1
• InChI: InChI=1S/C43H42O12Si7/c1-47-57(44,38-25-11-3-12-26-38)50-61(42-33-19-7-20-34-42)52-59(46,40-29-15-5-16-30-40)53-62(43-35-21-8-22-36-43)51-58(45,39-27-13-4-14-28-39)48-56(37-23-9-2-10-24-37)49-60(54-61,55-62)41-31-17-6-18-32-41/h2-36,44-46,56H,1H3
• InChIKey: WXBGFXGTDUIPCZ-UHFFFAOYSA-N
• XLogP: 0.97
• TPSA: 143.76 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	947.40
LogP ≤ 5	0.97
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5,9-dihydroxy-1,3,5,7,9,11-hexakis-phenyl-2,4,6,8,10,12,13-heptaoxa-1,3,5,7,9,11-hexasilabicyclo[5.5.1]tridecan-3-yl)oxy-hydroxy-methoxy-phenylsilane?

The IUPAC name of (5,9-dihydroxy-1,3,5,7,9,11-hexakis-phenyl-2,4,6,8,10,12,13-heptaoxa-1,3,5,7,9,11-hexasilabicyclo[5.5.1]tridecan-3-yl)oxy-hydroxy-methoxy-phenylsilane (CID 123629525) is (5,9-dihydroxy-1,3,5,7,9,11-hexakis-phenyl-2,4,6,8,10,12,13-heptaoxa-1,3,5,7,9,11-hexasilabicyclo[5.5.1]tridecan-3-yl)oxy-hydroxy-methoxy-phenylsilane.

What is the SMILES notation for (5,9-dihydroxy-1,3,5,7,9,11-hexakis-phenyl-2,4,6,8,10,12,13-heptaoxa-1,3,5,7,9,11-hexasilabicyclo[5.5.1]tridecan-3-yl)oxy-hydroxy-methoxy-phenylsilane?

The canonical SMILES for (5,9-dihydroxy-1,3,5,7,9,11-hexakis-phenyl-2,4,6,8,10,12,13-heptaoxa-1,3,5,7,9,11-hexasilabicyclo[5.5.1]tridecan-3-yl)oxy-hydroxy-methoxy-phenylsilane is CO[Si](O)(O[Si]1(c2ccccc2)O[Si](O)(c2ccccc2)O[Si]2(c3ccccc3)O[Si](O)(c3ccccc3)O[SiH](c3ccccc3)O[Si](c3ccccc3)(O1)O2)c1ccccc1.

What is the InChIKey of (5,9-dihydroxy-1,3,5,7,9,11-hexakis-phenyl-2,4,6,8,10,12,13-heptaoxa-1,3,5,7,9,11-hexasilabicyclo[5.5.1]tridecan-3-yl)oxy-hydroxy-methoxy-phenylsilane?

The InChIKey is WXBGFXGTDUIPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H42O12Si7/c1-47-57(44,38-25-11-3-12-26-38)50-61(42-33-19-7-20-34-42)52-59(46,40-29-15-5-16-30-40)53-62(43-35-21-8-22-36-43)51-58(45,39-27-13-4-14-28-39)48-56(37-23-9-2-10-24-37)49-60(54-61,55-62)41-31-17-6-18-32-41/h2-36,44-46,56H,1H3.

What are the key properties of (5,9-dihydroxy-1,3,5,7,9,11-hexakis-phenyl-2,4,6,8,10,12,13-heptaoxa-1,3,5,7,9,11-hexasilabicyclo[5.5.1]tridecan-3-yl)oxy-hydroxy-methoxy-phenylsilane?

(5,9-dihydroxy-1,3,5,7,9,11-hexakis-phenyl-2,4,6,8,10,12,13-heptaoxa-1,3,5,7,9,11-hexasilabicyclo[5.5.1]tridecan-3-yl)oxy-hydroxy-methoxy-phenylsilane has a molecular weight of 947.40 g/mol, XLogP of 0.97, 10 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for (5,9-dihydroxy-1,3,5,7,9,11-hexakis-phenyl-2,4,6,8,10,12,13-heptaoxa-1,3,5,7,9,11-hexasilabicyclo[5.5.1]tridecan-3-yl)oxy-hydroxy-methoxy-phenylsilane is sourced from PubChem (CID 123629525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).