[[3,5-bis[bis(trimethylsilyl)methyl]-2-(8-phenyl-1-germabicyclo[2.2.2]octa-2,5-dien-1-yl)phenyl]-trimethylsilylmethyl]-trimethylsilane

C40H72GeSi6 — CID 102510056

About [[3,5-bis[bis(trimethylsilyl)methyl]-2-(8-phenyl-1-germabicyclo[2.2.2]octa-2,5-dien-1-yl)phenyl]-trimethylsilylmethyl]-trimethylsilane

[[3,5-bis[bis(trimethylsilyl)methyl]-2-(8-phenyl-1-germabicyclo[2.2.2]octa-2,5-dien-1-yl)phenyl]-trimethylsilylmethyl]-trimethylsilane (PubChem CID 102510056) has the molecular formula C40H72GeSi6 and a molecular weight of 794.14 g/mol. Its IUPAC name is [[3,5-bis[bis(trimethylsilyl)methyl]-2-(8-phenyl-1-germabicyclo[2.2.2]octa-2,5-dien-1-yl)phenyl]-trimethylsilylmethyl]-trimethylsilane.

Molecular Properties

• Compound Name: [[3,5-bis[bis(trimethylsilyl)methyl]-2-(8-phenyl-1-germabicyclo[2.2.2]octa-2,5-dien-1-yl)phenyl]-trimethylsilylmethyl]-trimethylsilane
• PubChem CID: 102510056
• Molecular Formula: C40H72GeSi6
• Molecular Weight: 794.14 g/mol
• Exact Mass: 794.35
• IUPAC Name: [[3,5-bis[bis(trimethylsilyl)methyl]-2-(8-phenyl-1-germabicyclo[2.2.2]octa-2,5-dien-1-yl)phenyl]-trimethylsilylmethyl]-trimethylsilane
• SMILES: C[Si](C)(C)C(c1cc(C([Si](C)(C)C)[Si](C)(C)C)c([Ge]23C=CC(C=C2)C(c2ccccc2)C3)c(C([Si](C)(C)C)[Si](C)(C)C)c1)[Si](C)(C)C
• InChI: InChI=1S/C40H72GeSi6/c1-42(2,3)38(43(4,5)6)33-28-34(39(44(7,8)9)45(10,11)12)37(35(29-33)40(46(13,14)15)47(16,17)18)41-26-24-32(25-27-41)36(30-41)31-22-20-19-21-23-31/h19-29,32,36,38-40H,30H2,1-18H3
• InChIKey: RQRLRTWTYBPART-UHFFFAOYSA-N
• XLogP: 12.48
• TPSA: 0.00 Ų
• Rotatable Bonds: 11
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	794.14
LogP ≤ 5	12.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [[3,5-bis[bis(trimethylsilyl)methyl]-2-(8-phenyl-1-germabicyclo[2.2.2]octa-2,5-dien-1-yl)phenyl]-trimethylsilylmethyl]-trimethylsilane?

The IUPAC name of [[3,5-bis[bis(trimethylsilyl)methyl]-2-(8-phenyl-1-germabicyclo[2.2.2]octa-2,5-dien-1-yl)phenyl]-trimethylsilylmethyl]-trimethylsilane (CID 102510056) is [[3,5-bis[bis(trimethylsilyl)methyl]-2-(8-phenyl-1-germabicyclo[2.2.2]octa-2,5-dien-1-yl)phenyl]-trimethylsilylmethyl]-trimethylsilane.

What is the SMILES notation for [[3,5-bis[bis(trimethylsilyl)methyl]-2-(8-phenyl-1-germabicyclo[2.2.2]octa-2,5-dien-1-yl)phenyl]-trimethylsilylmethyl]-trimethylsilane?

The canonical SMILES for [[3,5-bis[bis(trimethylsilyl)methyl]-2-(8-phenyl-1-germabicyclo[2.2.2]octa-2,5-dien-1-yl)phenyl]-trimethylsilylmethyl]-trimethylsilane is C[Si](C)(C)C(c1cc(C([Si](C)(C)C)[Si](C)(C)C)c([Ge]23C=CC(C=C2)C(c2ccccc2)C3)c(C([Si](C)(C)C)[Si](C)(C)C)c1)[Si](C)(C)C.

What is the InChIKey of [[3,5-bis[bis(trimethylsilyl)methyl]-2-(8-phenyl-1-germabicyclo[2.2.2]octa-2,5-dien-1-yl)phenyl]-trimethylsilylmethyl]-trimethylsilane?

The InChIKey is RQRLRTWTYBPART-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H72GeSi6/c1-42(2,3)38(43(4,5)6)33-28-34(39(44(7,8)9)45(10,11)12)37(35(29-33)40(46(13,14)15)47(16,17)18)41-26-24-32(25-27-41)36(30-41)31-22-20-19-21-23-31/h19-29,32,36,38-40H,30H2,1-18H3.

What are the key properties of [[3,5-bis[bis(trimethylsilyl)methyl]-2-(8-phenyl-1-germabicyclo[2.2.2]octa-2,5-dien-1-yl)phenyl]-trimethylsilylmethyl]-trimethylsilane?

[[3,5-bis[bis(trimethylsilyl)methyl]-2-(8-phenyl-1-germabicyclo[2.2.2]octa-2,5-dien-1-yl)phenyl]-trimethylsilylmethyl]-trimethylsilane has a molecular weight of 794.14 g/mol, XLogP of 12.48, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for [[3,5-bis[bis(trimethylsilyl)methyl]-2-(8-phenyl-1-germabicyclo[2.2.2]octa-2,5-dien-1-yl)phenyl]-trimethylsilylmethyl]-trimethylsilane is sourced from PubChem (CID 102510056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).