tris(2,6-dimethyl-3,4-diphenylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane

C69H64Si — CID 123908492

About tris(2,6-dimethyl-3,4-diphenylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane

tris(2,6-dimethyl-3,4-diphenylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane (PubChem CID 123908492) has the molecular formula C69H64Si and a molecular weight of 921.36 g/mol. Its IUPAC name is tris(2,6-dimethyl-3,4-diphenylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane.

Molecular Properties

• Compound Name: tris(2,6-dimethyl-3,4-diphenylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
• PubChem CID: 123908492
• Molecular Formula: C69H64Si
• Molecular Weight: 921.36 g/mol
• Exact Mass: 920.48
• IUPAC Name: tris(2,6-dimethyl-3,4-diphenylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
• SMILES: CC1=C(C)C(C)C([Si](c2c(C)cc(-c3ccccc3)c(-c3ccccc3)c2C)(c2c(C)cc(-c3ccccc3)c(-c3ccccc3)c2C)c2c(C)cc(-c3ccccc3)c(-c3ccccc3)c2C)=C1C
• InChI: InChI=1S/C69H64Si/c1-44-41-60(54-29-17-11-18-30-54)63(57-35-23-14-24-36-57)51(8)66(44)70(69-49(6)47(4)48(5)50(69)7,67-45(2)42-61(55-31-19-12-20-32-55)64(52(67)9)58-37-25-15-26-38-58)68-46(3)43-62(56-33-21-13-22-34-56)65(53(68)10)59-39-27-16-28-40-59/h11-43,49H,1-10H3
• InChIKey: GWHRHEZYWHFOPA-UHFFFAOYSA-N
• XLogP: 16.85
• TPSA: 0.00 Ų
• Rotatable Bonds: 10
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	921.36
LogP ≤ 5	16.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tris(2,6-dimethyl-3,4-diphenylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane?

The IUPAC name of tris(2,6-dimethyl-3,4-diphenylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane (CID 123908492) is tris(2,6-dimethyl-3,4-diphenylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane.

What is the SMILES notation for tris(2,6-dimethyl-3,4-diphenylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane?

The canonical SMILES for tris(2,6-dimethyl-3,4-diphenylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane is CC1=C(C)C(C)C([Si](c2c(C)cc(-c3ccccc3)c(-c3ccccc3)c2C)(c2c(C)cc(-c3ccccc3)c(-c3ccccc3)c2C)c2c(C)cc(-c3ccccc3)c(-c3ccccc3)c2C)=C1C.

What is the InChIKey of tris(2,6-dimethyl-3,4-diphenylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane?

The InChIKey is GWHRHEZYWHFOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H64Si/c1-44-41-60(54-29-17-11-18-30-54)63(57-35-23-14-24-36-57)51(8)66(44)70(69-49(6)47(4)48(5)50(69)7,67-45(2)42-61(55-31-19-12-20-32-55)64(52(67)9)58-37-25-15-26-38-58)68-46(3)43-62(56-33-21-13-22-34-56)65(53(68)10)59-39-27-16-28-40-59/h11-43,49H,1-10H3.

What are the key properties of tris(2,6-dimethyl-3,4-diphenylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane?

tris(2,6-dimethyl-3,4-diphenylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane has a molecular weight of 921.36 g/mol, XLogP of 16.85, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for tris(2,6-dimethyl-3,4-diphenylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane is sourced from PubChem (CID 123908492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).