[3-[diphenyl-(4-phenylphenyl)silyl]-5-[3-(9H-fluoren-9-yl)-5-phenylphenyl]phenyl]-diphenyl-(4-phenylphenyl)silane

C79H58Si2 — CID 169031730

About [3-[diphenyl-(4-phenylphenyl)silyl]-5-[3-(9H-fluoren-9-yl)-5-phenylphenyl]phenyl]-diphenyl-(4-phenylphenyl)silane

[3-[diphenyl-(4-phenylphenyl)silyl]-5-[3-(9H-fluoren-9-yl)-5-phenylphenyl]phenyl]-diphenyl-(4-phenylphenyl)silane (PubChem CID 169031730) has the molecular formula C79H58Si2 and a molecular weight of 1063.51 g/mol. Its IUPAC name is [3-[diphenyl-(4-phenylphenyl)silyl]-5-[3-(9H-fluoren-9-yl)-5-phenylphenyl]phenyl]-diphenyl-(4-phenylphenyl)silane.

Molecular Properties

• Compound Name: [3-[diphenyl-(4-phenylphenyl)silyl]-5-[3-(9H-fluoren-9-yl)-5-phenylphenyl]phenyl]-diphenyl-(4-phenylphenyl)silane
• PubChem CID: 169031730
• Molecular Formula: C79H58Si2
• Molecular Weight: 1063.51 g/mol
• Exact Mass: 1062.41
• IUPAC Name: [3-[diphenyl-(4-phenylphenyl)silyl]-5-[3-(9H-fluoren-9-yl)-5-phenylphenyl]phenyl]-diphenyl-(4-phenylphenyl)silane
• SMILES: c1ccc(-c2ccc([Si](c3ccccc3)(c3ccccc3)c3cc(-c4cc(-c5ccccc5)cc(C5c6ccccc6-c6ccccc65)c4)cc([Si](c4ccccc4)(c4ccccc4)c4ccc(-c5ccccc5)cc4)c3)cc2)cc1
• InChI: InChI=1S/C79H58Si2/c1-8-26-58(27-9-1)61-44-48-71(49-45-61)80(67-32-14-4-15-33-67,68-34-16-5-17-35-68)73-55-65(64-52-63(60-30-12-3-13-31-60)53-66(54-64)79-77-42-24-22-40-75(77)76-41-23-25-43-78(76)79)56-74(57-73)81(69-36-18-6-19-37-69,70-38-20-7-21-39-70)72-50-46-62(47-51-72)59-28-10-2-11-29-59/h1-57,79H
• InChIKey: PCYJAYIJZUIBNA-UHFFFAOYSA-N
• XLogP: 14.27
• TPSA: 0.00 Ų
• Rotatable Bonds: 13
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1063.51
LogP ≤ 5	14.27
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 [3-[diphenyl-(4-phenylphenyl)silyl]-5-[3-(9H-fluoren-9-yl)-5-phenylphenyl]phenyl]-diphenyl-(4-phenylphenyl)silane?

The IUPAC name of [3-[diphenyl-(4-phenylphenyl)silyl]-5-[3-(9H-fluoren-9-yl)-5-phenylphenyl]phenyl]-diphenyl-(4-phenylphenyl)silane (CID 169031730) is [3-[diphenyl-(4-phenylphenyl)silyl]-5-[3-(9H-fluoren-9-yl)-5-phenylphenyl]phenyl]-diphenyl-(4-phenylphenyl)silane.

What is the SMILES notation for [3-[diphenyl-(4-phenylphenyl)silyl]-5-[3-(9H-fluoren-9-yl)-5-phenylphenyl]phenyl]-diphenyl-(4-phenylphenyl)silane?

The canonical SMILES for [3-[diphenyl-(4-phenylphenyl)silyl]-5-[3-(9H-fluoren-9-yl)-5-phenylphenyl]phenyl]-diphenyl-(4-phenylphenyl)silane is c1ccc(-c2ccc([Si](c3ccccc3)(c3ccccc3)c3cc(-c4cc(-c5ccccc5)cc(C5c6ccccc6-c6ccccc65)c4)cc([Si](c4ccccc4)(c4ccccc4)c4ccc(-c5ccccc5)cc4)c3)cc2)cc1.

What is the InChIKey of [3-[diphenyl-(4-phenylphenyl)silyl]-5-[3-(9H-fluoren-9-yl)-5-phenylphenyl]phenyl]-diphenyl-(4-phenylphenyl)silane?

The InChIKey is PCYJAYIJZUIBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C79H58Si2/c1-8-26-58(27-9-1)61-44-48-71(49-45-61)80(67-32-14-4-15-33-67,68-34-16-5-17-35-68)73-55-65(64-52-63(60-30-12-3-13-31-60)53-66(54-64)79-77-42-24-22-40-75(77)76-41-23-25-43-78(76)79)56-74(57-73)81(69-36-18-6-19-37-69,70-38-20-7-21-39-70)72-50-46-62(47-51-72)59-28-10-2-11-29-59/h1-57,79H.

What are the key properties of [3-[diphenyl-(4-phenylphenyl)silyl]-5-[3-(9H-fluoren-9-yl)-5-phenylphenyl]phenyl]-diphenyl-(4-phenylphenyl)silane?

[3-[diphenyl-(4-phenylphenyl)silyl]-5-[3-(9H-fluoren-9-yl)-5-phenylphenyl]phenyl]-diphenyl-(4-phenylphenyl)silane has a molecular weight of 1063.51 g/mol, XLogP of 14.27, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[diphenyl-(4-phenylphenyl)silyl]-5-[3-(9H-fluoren-9-yl)-5-phenylphenyl]phenyl]-diphenyl-(4-phenylphenyl)silane is sourced from PubChem (CID 169031730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).