triphenyl-[3-(3-spiro[acridine-9,2'-adamantane]-10-ylcarbazol-9-yl)phenyl]silane

C58H48N2Si — CID 163761357

About triphenyl-[3-(3-spiro[acridine-9,2'-adamantane]-10-ylcarbazol-9-yl)phenyl]silane

triphenyl-[3-(3-spiro[acridine-9,2'-adamantane]-10-ylcarbazol-9-yl)phenyl]silane (PubChem CID 163761357) has the molecular formula C58H48N2Si and a molecular weight of 801.12 g/mol. Its IUPAC name is triphenyl-[3-(3-spiro[acridine-9,2'-adamantane]-10-ylcarbazol-9-yl)phenyl]silane.

Molecular Properties

• Compound Name: triphenyl-[3-(3-spiro[acridine-9,2'-adamantane]-10-ylcarbazol-9-yl)phenyl]silane
• PubChem CID: 163761357
• Molecular Formula: C58H48N2Si
• Molecular Weight: 801.12 g/mol
• Exact Mass: 800.36
• IUPAC Name: triphenyl-[3-(3-spiro[acridine-9,2'-adamantane]-10-ylcarbazol-9-yl)phenyl]silane
• SMILES: c1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-n3c4ccccc4c4cc(N5c6ccccc6C6(c7ccccc75)C5CC7CC(C5)CC6C7)ccc43)c2)cc1
• InChI: InChI=1S/C58H48N2Si/c1-4-18-46(19-5-1)61(47-20-6-2-7-21-47,48-22-8-3-9-23-48)49-24-16-17-44(38-49)59-54-28-13-10-25-50(54)51-39-45(31-32-55(51)59)60-56-29-14-11-26-52(56)58(53-27-12-15-30-57(53)60)42-34-40-33-41(36-42)37-43(58)35-40/h1-32,38-43H,33-37H2
• InChIKey: KTLIYGIYSJTLGI-UHFFFAOYSA-N
• XLogP: 11.69
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	801.12
LogP ≤ 5	11.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

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 triphenyl-[3-(3-spiro[acridine-9,2'-adamantane]-10-ylcarbazol-9-yl)phenyl]silane?

The IUPAC name of triphenyl-[3-(3-spiro[acridine-9,2'-adamantane]-10-ylcarbazol-9-yl)phenyl]silane (CID 163761357) is triphenyl-[3-(3-spiro[acridine-9,2'-adamantane]-10-ylcarbazol-9-yl)phenyl]silane.

What is the SMILES notation for triphenyl-[3-(3-spiro[acridine-9,2'-adamantane]-10-ylcarbazol-9-yl)phenyl]silane?

The canonical SMILES for triphenyl-[3-(3-spiro[acridine-9,2'-adamantane]-10-ylcarbazol-9-yl)phenyl]silane is c1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-n3c4ccccc4c4cc(N5c6ccccc6C6(c7ccccc75)C5CC7CC(C5)CC6C7)ccc43)c2)cc1.

What is the InChIKey of triphenyl-[3-(3-spiro[acridine-9,2'-adamantane]-10-ylcarbazol-9-yl)phenyl]silane?

The InChIKey is KTLIYGIYSJTLGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H48N2Si/c1-4-18-46(19-5-1)61(47-20-6-2-7-21-47,48-22-8-3-9-23-48)49-24-16-17-44(38-49)59-54-28-13-10-25-50(54)51-39-45(31-32-55(51)59)60-56-29-14-11-26-52(56)58(53-27-12-15-30-57(53)60)42-34-40-33-41(36-42)37-43(58)35-40/h1-32,38-43H,33-37H2.

What are the key properties of triphenyl-[3-(3-spiro[acridine-9,2'-adamantane]-10-ylcarbazol-9-yl)phenyl]silane?

triphenyl-[3-(3-spiro[acridine-9,2'-adamantane]-10-ylcarbazol-9-yl)phenyl]silane has a molecular weight of 801.12 g/mol, XLogP of 11.69, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for triphenyl-[3-(3-spiro[acridine-9,2'-adamantane]-10-ylcarbazol-9-yl)phenyl]silane is sourced from PubChem (CID 163761357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).