trimethyl-[4-[3-[10-(6-spiro[adamantane-2,9'-fluorene]-2'-ylnaphthalen-2-yl)anthracen-9-yl]phenyl]phenyl]silane

C61H52Si — CID 164819102

About trimethyl-[4-[3-[10-(6-spiro[adamantane-2,9'-fluorene]-2'-ylnaphthalen-2-yl)anthracen-9-yl]phenyl]phenyl]silane

trimethyl-[4-[3-[10-(6-spiro[adamantane-2,9'-fluorene]-2'-ylnaphthalen-2-yl)anthracen-9-yl]phenyl]phenyl]silane (PubChem CID 164819102) has the molecular formula C61H52Si and a molecular weight of 813.17 g/mol. Its IUPAC name is trimethyl-[4-[3-[10-(6-spiro[adamantane-2,9'-fluorene]-2'-ylnaphthalen-2-yl)anthracen-9-yl]phenyl]phenyl]silane.

Molecular Properties

• Compound Name: trimethyl-[4-[3-[10-(6-spiro[adamantane-2,9'-fluorene]-2'-ylnaphthalen-2-yl)anthracen-9-yl]phenyl]phenyl]silane
• PubChem CID: 164819102
• Molecular Formula: C61H52Si
• Molecular Weight: 813.17 g/mol
• Exact Mass: 812.38
• IUPAC Name: trimethyl-[4-[3-[10-(6-spiro[adamantane-2,9'-fluorene]-2'-ylnaphthalen-2-yl)anthracen-9-yl]phenyl]phenyl]silane
• SMILES: C[Si](C)(C)c1ccc(-c2cccc(-c3c4ccccc4c(-c4ccc5cc(-c6ccc7c(c6)C6(c8ccccc8-7)C7CC8CC(C7)CC6C8)ccc5c4)c4ccccc34)c2)cc1
• InChI: InChI=1S/C61H52Si/c1-62(2,3)50-26-23-40(24-27-50)41-11-10-12-46(35-41)59-53-14-4-6-16-55(53)60(56-17-7-5-15-54(56)59)47-22-21-42-34-43(19-20-44(42)36-47)45-25-28-52-51-13-8-9-18-57(51)61(58(52)37-45)48-30-38-29-39(32-48)33-49(61)31-38/h4-28,34-39,48-49H,29-33H2,1-3H3
• InChIKey: GUVPPFAHGGPZPR-UHFFFAOYSA-N
• XLogP: 16.08
• TPSA: 0.00 Ų
• Rotatable Bonds: 5
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	813.17
LogP ≤ 5	16.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of trimethyl-[4-[3-[10-(6-spiro[adamantane-2,9'-fluorene]-2'-ylnaphthalen-2-yl)anthracen-9-yl]phenyl]phenyl]silane?

The IUPAC name of trimethyl-[4-[3-[10-(6-spiro[adamantane-2,9'-fluorene]-2'-ylnaphthalen-2-yl)anthracen-9-yl]phenyl]phenyl]silane (CID 164819102) is trimethyl-[4-[3-[10-(6-spiro[adamantane-2,9'-fluorene]-2'-ylnaphthalen-2-yl)anthracen-9-yl]phenyl]phenyl]silane.

What is the SMILES notation for trimethyl-[4-[3-[10-(6-spiro[adamantane-2,9'-fluorene]-2'-ylnaphthalen-2-yl)anthracen-9-yl]phenyl]phenyl]silane?

The canonical SMILES for trimethyl-[4-[3-[10-(6-spiro[adamantane-2,9'-fluorene]-2'-ylnaphthalen-2-yl)anthracen-9-yl]phenyl]phenyl]silane is C[Si](C)(C)c1ccc(-c2cccc(-c3c4ccccc4c(-c4ccc5cc(-c6ccc7c(c6)C6(c8ccccc8-7)C7CC8CC(C7)CC6C8)ccc5c4)c4ccccc34)c2)cc1.

What is the InChIKey of trimethyl-[4-[3-[10-(6-spiro[adamantane-2,9'-fluorene]-2'-ylnaphthalen-2-yl)anthracen-9-yl]phenyl]phenyl]silane?

The InChIKey is GUVPPFAHGGPZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H52Si/c1-62(2,3)50-26-23-40(24-27-50)41-11-10-12-46(35-41)59-53-14-4-6-16-55(53)60(56-17-7-5-15-54(56)59)47-22-21-42-34-43(19-20-44(42)36-47)45-25-28-52-51-13-8-9-18-57(51)61(58(52)37-45)48-30-38-29-39(32-48)33-49(61)31-38/h4-28,34-39,48-49H,29-33H2,1-3H3.

What are the key properties of trimethyl-[4-[3-[10-(6-spiro[adamantane-2,9'-fluorene]-2'-ylnaphthalen-2-yl)anthracen-9-yl]phenyl]phenyl]silane?

trimethyl-[4-[3-[10-(6-spiro[adamantane-2,9'-fluorene]-2'-ylnaphthalen-2-yl)anthracen-9-yl]phenyl]phenyl]silane has a molecular weight of 813.17 g/mol, XLogP of 16.08, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for trimethyl-[4-[3-[10-(6-spiro[adamantane-2,9'-fluorene]-2'-ylnaphthalen-2-yl)anthracen-9-yl]phenyl]phenyl]silane is sourced from PubChem (CID 164819102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).