Bis(3,5-dimethylphenyl)-phenyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane

C₃₁H₃₆Si — CID 152748108

About Bis(3,5-dimethylphenyl)-phenyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane

Bis(3,5-dimethylphenyl)-phenyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane (PubChem CID 152748108) has the molecular formula C₃₁H₃₆Si and a molecular weight of 436.72 g/mol. Its IUPAC name is bis(3,5-dimethylphenyl)-phenyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane.

Molecular Properties

• Compound Name: Bis(3,5-dimethylphenyl)-phenyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
• PubChem CID: 152748108
• Molecular Formula: C₃₁H₃₆Si
• Molecular Weight: 436.72 g/mol
• Exact Mass: 436.26
• IUPAC Name: bis(3,5-dimethylphenyl)-phenyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
• SMILES: CC1=C(C)C([Si](c2ccccc2)(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)C(C)=C1C
• InChI: InChI=1S/C31H36Si/c1-20-14-21(2)17-29(16-20)32(28-12-10-9-11-13-28,30-18-22(3)15-23(4)19-30)31-26(7)24(5)25(6)27(31)8/h9-19,31H,1-8H3
• InChIKey: LDNDZVDXVCRJSC-UHFFFAOYSA-N
• XLogP: 6.45
• TPSA: 0.00 Ų
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	436.72
LogP ≤ 5	6.45
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 Bis(3,5-dimethylphenyl)-phenyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane?

The IUPAC name of Bis(3,5-dimethylphenyl)-phenyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane (CID 152748108) is bis(3,5-dimethylphenyl)-phenyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane.

What is the SMILES notation for Bis(3,5-dimethylphenyl)-phenyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane?

The canonical SMILES for Bis(3,5-dimethylphenyl)-phenyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane is CC1=C(C)C([Si](c2ccccc2)(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)C(C)=C1C.

What is the InChIKey of Bis(3,5-dimethylphenyl)-phenyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane?

The InChIKey is LDNDZVDXVCRJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36Si/c1-20-14-21(2)17-29(16-20)32(28-12-10-9-11-13-28,30-18-22(3)15-23(4)19-30)31-26(7)24(5)25(6)27(31)8/h9-19,31H,1-8H3.

What are the key properties of Bis(3,5-dimethylphenyl)-phenyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane?

Bis(3,5-dimethylphenyl)-phenyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane has a molecular weight of 436.72 g/mol, XLogP of 6.45, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for Bis(3,5-dimethylphenyl)-phenyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane is sourced from PubChem (CID 152748108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 152748108 — identifiers, structure, computed properties (public domain)

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