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

C99H76Si — CID 173473215

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

(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)-tris(2,3,5,6-tetraphenylphenyl)silane (PubChem CID 173473215) has the molecular formula C99H76Si and a molecular weight of 1293.78 g/mol. Its IUPAC name is (1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)-tris(2,3,5,6-tetraphenylphenyl)silane.

Molecular Properties

• Compound Name: (1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)-tris(2,3,5,6-tetraphenylphenyl)silane
• PubChem CID: 173473215
• Molecular Formula: C99H76Si
• Molecular Weight: 1293.78 g/mol
• Exact Mass: 1292.57
• IUPAC Name: (1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)-tris(2,3,5,6-tetraphenylphenyl)silane
• SMILES: CC1=CC(C)([Si](c2c(-c3ccccc3)c(-c3ccccc3)cc(-c3ccccc3)c2-c2ccccc2)(c2c(-c3ccccc3)c(-c3ccccc3)cc(-c3ccccc3)c2-c2ccccc2)c2c(-c3ccccc3)c(-c3ccccc3)cc(-c3ccccc3)c2-c2ccccc2)C(C)=C1C
• InChI: InChI=1S/C99H76Si/c1-69-68-99(4,71(3)70(69)2)100(96-90(78-53-29-11-30-54-78)84(72-41-17-5-18-42-72)65-85(73-43-19-6-20-44-73)91(96)79-55-31-12-32-56-79,97-92(80-57-33-13-34-58-80)86(74-45-21-7-22-46-74)66-87(75-47-23-8-24-48-75)93(97)81-59-35-14-36-60-81)98-94(82-61-37-15-38-62-82)88(76-49-25-9-26-50-76)67-89(77-51-27-10-28-52-77)95(98)83-63-39-16-40-64-83/h5-68H,1-4H3
• InChIKey: WLZPEPRZZNYATR-UHFFFAOYSA-N
• XLogP: 25.22
• TPSA: 0.00 Ų
• Rotatable Bonds: 16
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1293.78
LogP ≤ 5	25.22
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 (1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)-tris(2,3,5,6-tetraphenylphenyl)silane?

The IUPAC name of (1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)-tris(2,3,5,6-tetraphenylphenyl)silane (CID 173473215) is (1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)-tris(2,3,5,6-tetraphenylphenyl)silane.

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

The canonical SMILES for (1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)-tris(2,3,5,6-tetraphenylphenyl)silane is CC1=CC(C)([Si](c2c(-c3ccccc3)c(-c3ccccc3)cc(-c3ccccc3)c2-c2ccccc2)(c2c(-c3ccccc3)c(-c3ccccc3)cc(-c3ccccc3)c2-c2ccccc2)c2c(-c3ccccc3)c(-c3ccccc3)cc(-c3ccccc3)c2-c2ccccc2)C(C)=C1C.

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

The InChIKey is WLZPEPRZZNYATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C99H76Si/c1-69-68-99(4,71(3)70(69)2)100(96-90(78-53-29-11-30-54-78)84(72-41-17-5-18-42-72)65-85(73-43-19-6-20-44-73)91(96)79-55-31-12-32-56-79,97-92(80-57-33-13-34-58-80)86(74-45-21-7-22-46-74)66-87(75-47-23-8-24-48-75)93(97)81-59-35-14-36-60-81)98-94(82-61-37-15-38-62-82)88(76-49-25-9-26-50-76)67-89(77-51-27-10-28-52-77)95(98)83-63-39-16-40-64-83/h5-68H,1-4H3.

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

(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)-tris(2,3,5,6-tetraphenylphenyl)silane has a molecular weight of 1293.78 g/mol, XLogP of 25.22, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for (1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)-tris(2,3,5,6-tetraphenylphenyl)silane is sourced from PubChem (CID 173473215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).