trimethyl-[3-methyl-5-[(2-methylphenyl)-phenyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silyl]phenyl]silane

C32H40Si2 — CID 123948663

About trimethyl-[3-methyl-5-[(2-methylphenyl)-phenyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silyl]phenyl]silane

trimethyl-[3-methyl-5-[(2-methylphenyl)-phenyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silyl]phenyl]silane (PubChem CID 123948663) has the molecular formula C32H40Si2 and a molecular weight of 480.84 g/mol. Its IUPAC name is trimethyl-[3-methyl-5-[(2-methylphenyl)-phenyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silyl]phenyl]silane.

Molecular Properties

• Compound Name: trimethyl-[3-methyl-5-[(2-methylphenyl)-phenyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silyl]phenyl]silane
• PubChem CID: 123948663
• Molecular Formula: C32H40Si2
• Molecular Weight: 480.84 g/mol
• Exact Mass: 480.27
• IUPAC Name: trimethyl-[3-methyl-5-[(2-methylphenyl)-phenyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silyl]phenyl]silane
• SMILES: CC1=C(C)C(C)C([Si](c2ccccc2)(c2cc(C)cc([Si](C)(C)C)c2)c2ccccc2C)=C1C
• InChI: InChI=1S/C32H40Si2/c1-22-19-29(33(7,8)9)21-30(20-22)34(28-16-11-10-12-17-28,31-18-14-13-15-23(31)2)32-26(5)24(3)25(4)27(32)6/h10-21,26H,1-9H3
• InChIKey: PKEWHHIFLXQZJY-UHFFFAOYSA-N
• XLogP: 6.16
• TPSA: 0.00 Ų
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	480.84
LogP ≤ 5	6.16
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 trimethyl-[3-methyl-5-[(2-methylphenyl)-phenyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silyl]phenyl]silane?

The IUPAC name of trimethyl-[3-methyl-5-[(2-methylphenyl)-phenyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silyl]phenyl]silane (CID 123948663) is trimethyl-[3-methyl-5-[(2-methylphenyl)-phenyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silyl]phenyl]silane.

What is the SMILES notation for trimethyl-[3-methyl-5-[(2-methylphenyl)-phenyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silyl]phenyl]silane?

The canonical SMILES for trimethyl-[3-methyl-5-[(2-methylphenyl)-phenyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silyl]phenyl]silane is CC1=C(C)C(C)C([Si](c2ccccc2)(c2cc(C)cc([Si](C)(C)C)c2)c2ccccc2C)=C1C.

What is the InChIKey of trimethyl-[3-methyl-5-[(2-methylphenyl)-phenyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silyl]phenyl]silane?

The InChIKey is PKEWHHIFLXQZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40Si2/c1-22-19-29(33(7,8)9)21-30(20-22)34(28-16-11-10-12-17-28,31-18-14-13-15-23(31)2)32-26(5)24(3)25(4)27(32)6/h10-21,26H,1-9H3.

What are the key properties of trimethyl-[3-methyl-5-[(2-methylphenyl)-phenyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silyl]phenyl]silane?

trimethyl-[3-methyl-5-[(2-methylphenyl)-phenyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silyl]phenyl]silane has a molecular weight of 480.84 g/mol, XLogP of 6.16, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for trimethyl-[3-methyl-5-[(2-methylphenyl)-phenyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silyl]phenyl]silane is sourced from PubChem (CID 123948663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).