[4-(2-methyl-9,9-diphenyl-7-triphenylsilylacridin-10-yl)phenyl]-triphenylsilane

C68H53NSi2 — CID 59470047

About [4-(2-methyl-9,9-diphenyl-7-triphenylsilylacridin-10-yl)phenyl]-triphenylsilane

[4-(2-methyl-9,9-diphenyl-7-triphenylsilylacridin-10-yl)phenyl]-triphenylsilane (PubChem CID 59470047) has the molecular formula C68H53NSi2 and a molecular weight of 940.35 g/mol. Its IUPAC name is [4-(2-methyl-9,9-diphenyl-7-triphenylsilylacridin-10-yl)phenyl]-triphenylsilane.

Molecular Properties

• Compound Name: [4-(2-methyl-9,9-diphenyl-7-triphenylsilylacridin-10-yl)phenyl]-triphenylsilane
• PubChem CID: 59470047
• Molecular Formula: C68H53NSi2
• Molecular Weight: 940.35 g/mol
• Exact Mass: 939.37
• IUPAC Name: [4-(2-methyl-9,9-diphenyl-7-triphenylsilylacridin-10-yl)phenyl]-triphenylsilane
• SMILES: Cc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)ccc1N2c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C68H53NSi2/c1-52-42-48-66-64(50-52)68(53-26-10-2-11-27-53,54-28-12-3-13-29-54)65-51-63(71(59-36-20-7-21-37-59,60-38-22-8-23-39-60)61-40-24-9-25-41-61)47-49-67(65)69(66)55-43-45-62(46-44-55)70(56-30-14-4-15-31-56,57-32-16-5-17-33-57)58-34-18-6-19-35-58/h2-51H,1H3
• InChIKey: HBEAKQZCTYOKPC-UHFFFAOYSA-N
• XLogP: 10.92
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 11
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	940.35
LogP ≤ 5	10.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

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 [4-(2-methyl-9,9-diphenyl-7-triphenylsilylacridin-10-yl)phenyl]-triphenylsilane?

The IUPAC name of [4-(2-methyl-9,9-diphenyl-7-triphenylsilylacridin-10-yl)phenyl]-triphenylsilane (CID 59470047) is [4-(2-methyl-9,9-diphenyl-7-triphenylsilylacridin-10-yl)phenyl]-triphenylsilane.

What is the SMILES notation for [4-(2-methyl-9,9-diphenyl-7-triphenylsilylacridin-10-yl)phenyl]-triphenylsilane?

The canonical SMILES for [4-(2-methyl-9,9-diphenyl-7-triphenylsilylacridin-10-yl)phenyl]-triphenylsilane is Cc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)ccc1N2c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of [4-(2-methyl-9,9-diphenyl-7-triphenylsilylacridin-10-yl)phenyl]-triphenylsilane?

The InChIKey is HBEAKQZCTYOKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H53NSi2/c1-52-42-48-66-64(50-52)68(53-26-10-2-11-27-53,54-28-12-3-13-29-54)65-51-63(71(59-36-20-7-21-37-59,60-38-22-8-23-39-60)61-40-24-9-25-41-61)47-49-67(65)69(66)55-43-45-62(46-44-55)70(56-30-14-4-15-31-56,57-32-16-5-17-33-57)58-34-18-6-19-35-58/h2-51H,1H3.

What are the key properties of [4-(2-methyl-9,9-diphenyl-7-triphenylsilylacridin-10-yl)phenyl]-triphenylsilane?

[4-(2-methyl-9,9-diphenyl-7-triphenylsilylacridin-10-yl)phenyl]-triphenylsilane has a molecular weight of 940.35 g/mol, XLogP of 10.92, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(2-methyl-9,9-diphenyl-7-triphenylsilylacridin-10-yl)phenyl]-triphenylsilane is sourced from PubChem (CID 59470047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).