[3-[4,6-di(spiro[acridine-9,2'-adamantane]-10-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane

C71H63N5Si — CID 171600909

About [3-[4,6-di(spiro[acridine-9,2'-adamantane]-10-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane

[3-[4,6-di(spiro[acridine-9,2'-adamantane]-10-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane (PubChem CID 171600909) has the molecular formula C71H63N5Si and a molecular weight of 1014.41 g/mol. Its IUPAC name is [3-[4,6-di(spiro[acridine-9,2'-adamantane]-10-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane.

Molecular Properties

• Compound Name: [3-[4,6-di(spiro[acridine-9,2'-adamantane]-10-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
• PubChem CID: 171600909
• Molecular Formula: C71H63N5Si
• Molecular Weight: 1014.41 g/mol
• Exact Mass: 1013.49
• IUPAC Name: [3-[4,6-di(spiro[acridine-9,2'-adamantane]-10-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
• SMILES: c1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-c3nc(N4c5ccccc5C5(c6ccccc64)C4CC6CC(C4)CC5C6)nc(N4c5ccccc5C5(c6ccccc64)C4CC6CC(C4)CC5C6)n3)c2)cc1
• InChI: InChI=1S/C71H63N5Si/c1-4-20-55(21-5-1)77(56-22-6-2-7-23-56,57-24-8-3-9-25-57)58-26-18-19-50(45-58)67-72-68(75-63-31-14-10-27-59(63)70(60-28-11-15-32-64(60)75)51-37-46-35-47(39-51)40-52(70)38-46)74-69(73-67)76-65-33-16-12-29-61(65)71(62-30-13-17-34-66(62)76)53-41-48-36-49(43-53)44-54(71)42-48/h1-34,45-49,51-54H,35-44H2
• InChIKey: FZUHVCNXVGVVPF-UHFFFAOYSA-N
• XLogP: 13.97
• TPSA: 45.15 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1014.41
LogP ≤ 5	13.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

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-[4,6-di(spiro[acridine-9,2'-adamantane]-10-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane?

The IUPAC name of [3-[4,6-di(spiro[acridine-9,2'-adamantane]-10-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane (CID 171600909) is [3-[4,6-di(spiro[acridine-9,2'-adamantane]-10-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane.

What is the SMILES notation for [3-[4,6-di(spiro[acridine-9,2'-adamantane]-10-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane?

The canonical SMILES for [3-[4,6-di(spiro[acridine-9,2'-adamantane]-10-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane is c1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-c3nc(N4c5ccccc5C5(c6ccccc64)C4CC6CC(C4)CC5C6)nc(N4c5ccccc5C5(c6ccccc64)C4CC6CC(C4)CC5C6)n3)c2)cc1.

What is the InChIKey of [3-[4,6-di(spiro[acridine-9,2'-adamantane]-10-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane?

The InChIKey is FZUHVCNXVGVVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H63N5Si/c1-4-20-55(21-5-1)77(56-22-6-2-7-23-56,57-24-8-3-9-25-57)58-26-18-19-50(45-58)67-72-68(75-63-31-14-10-27-59(63)70(60-28-11-15-32-64(60)75)51-37-46-35-47(39-51)40-52(70)38-46)74-69(73-67)76-65-33-16-12-29-61(65)71(62-30-13-17-34-66(62)76)53-41-48-36-49(43-53)44-54(71)42-48/h1-34,45-49,51-54H,35-44H2.

What are the key properties of [3-[4,6-di(spiro[acridine-9,2'-adamantane]-10-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane?

[3-[4,6-di(spiro[acridine-9,2'-adamantane]-10-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane has a molecular weight of 1014.41 g/mol, XLogP of 13.97, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[4,6-di(spiro[acridine-9,2'-adamantane]-10-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane is sourced from PubChem (CID 171600909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).