5-[2-[4-[2-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-3-phenylphenyl]-6-phenyl-1,3,5-triazin-2-yl]-6-phenylphenyl]-10,10-diphenylbenzo[b][1,4]benzazasiline

C81H57N5Si2 — CID 155622047

About 5-[2-[4-[2-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-3-phenylphenyl]-6-phenyl-1,3,5-triazin-2-yl]-6-phenylphenyl]-10,10-diphenylbenzo[b][1,4]benzazasiline

5-[2-[4-[2-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-3-phenylphenyl]-6-phenyl-1,3,5-triazin-2-yl]-6-phenylphenyl]-10,10-diphenylbenzo[b][1,4]benzazasiline (PubChem CID 155622047) has the molecular formula C81H57N5Si2 and a molecular weight of 1156.55 g/mol. Its IUPAC name is 5-[2-[4-[2-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-3-phenylphenyl]-6-phenyl-1,3,5-triazin-2-yl]-6-phenylphenyl]-10,10-diphenylbenzo[b][1,4]benzazasiline.

Molecular Properties

• Compound Name: 5-[2-[4-[2-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-3-phenylphenyl]-6-phenyl-1,3,5-triazin-2-yl]-6-phenylphenyl]-10,10-diphenylbenzo[b][1,4]benzazasiline
• PubChem CID: 155622047
• Molecular Formula: C81H57N5Si2
• Molecular Weight: 1156.55 g/mol
• Exact Mass: 1155.42
• IUPAC Name: 5-[2-[4-[2-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-3-phenylphenyl]-6-phenyl-1,3,5-triazin-2-yl]-6-phenylphenyl]-10,10-diphenylbenzo[b][1,4]benzazasiline
• SMILES: c1ccc(-c2nc(-c3cccc(-c4ccccc4)c3N3c4ccccc4[Si](c4ccccc4)(c4ccccc4)c4ccccc43)nc(-c3cccc(-c4ccccc4)c3N3c4ccccc4[Si](c4ccccc4)(c4ccccc4)c4ccccc43)n2)cc1
• InChI: InChI=1S/C81H57N5Si2/c1-8-32-58(33-9-1)65-46-30-48-67(77(65)85-69-50-22-26-54-73(69)87(61-38-14-4-15-39-61,62-40-16-5-17-41-62)74-55-27-23-51-70(74)85)80-82-79(60-36-12-3-13-37-60)83-81(84-80)68-49-31-47-66(59-34-10-2-11-35-59)78(68)86-71-52-24-28-56-75(71)88(63-42-18-6-19-43-63,64-44-20-7-21-45-64)76-57-29-25-53-72(76)86/h1-57H
• InChIKey: SVKKSYAPRIQJPB-UHFFFAOYSA-N
• XLogP: 14.53
• TPSA: 45.15 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1156.55
LogP ≤ 5	14.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-[2-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-3-phenylphenyl]-6-phenyl-1,3,5-triazin-2-yl]-6-phenylphenyl]-10,10-diphenylbenzo[b][1,4]benzazasiline?

The IUPAC name of 5-[2-[4-[2-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-3-phenylphenyl]-6-phenyl-1,3,5-triazin-2-yl]-6-phenylphenyl]-10,10-diphenylbenzo[b][1,4]benzazasiline (CID 155622047) is 5-[2-[4-[2-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-3-phenylphenyl]-6-phenyl-1,3,5-triazin-2-yl]-6-phenylphenyl]-10,10-diphenylbenzo[b][1,4]benzazasiline.

What is the SMILES notation for 5-[2-[4-[2-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-3-phenylphenyl]-6-phenyl-1,3,5-triazin-2-yl]-6-phenylphenyl]-10,10-diphenylbenzo[b][1,4]benzazasiline?

The canonical SMILES for 5-[2-[4-[2-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-3-phenylphenyl]-6-phenyl-1,3,5-triazin-2-yl]-6-phenylphenyl]-10,10-diphenylbenzo[b][1,4]benzazasiline is c1ccc(-c2nc(-c3cccc(-c4ccccc4)c3N3c4ccccc4[Si](c4ccccc4)(c4ccccc4)c4ccccc43)nc(-c3cccc(-c4ccccc4)c3N3c4ccccc4[Si](c4ccccc4)(c4ccccc4)c4ccccc43)n2)cc1.

What is the InChIKey of 5-[2-[4-[2-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-3-phenylphenyl]-6-phenyl-1,3,5-triazin-2-yl]-6-phenylphenyl]-10,10-diphenylbenzo[b][1,4]benzazasiline?

The InChIKey is SVKKSYAPRIQJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H57N5Si2/c1-8-32-58(33-9-1)65-46-30-48-67(77(65)85-69-50-22-26-54-73(69)87(61-38-14-4-15-39-61,62-40-16-5-17-41-62)74-55-27-23-51-70(74)85)80-82-79(60-36-12-3-13-37-60)83-81(84-80)68-49-31-47-66(59-34-10-2-11-35-59)78(68)86-71-52-24-28-56-75(71)88(63-42-18-6-19-43-63,64-44-20-7-21-45-64)76-57-29-25-53-72(76)86/h1-57H.

What are the key properties of 5-[2-[4-[2-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-3-phenylphenyl]-6-phenyl-1,3,5-triazin-2-yl]-6-phenylphenyl]-10,10-diphenylbenzo[b][1,4]benzazasiline?

5-[2-[4-[2-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-3-phenylphenyl]-6-phenyl-1,3,5-triazin-2-yl]-6-phenylphenyl]-10,10-diphenylbenzo[b][1,4]benzazasiline has a molecular weight of 1156.55 g/mol, XLogP of 14.53, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[4-[2-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-3-phenylphenyl]-6-phenyl-1,3,5-triazin-2-yl]-6-phenylphenyl]-10,10-diphenylbenzo[b][1,4]benzazasiline is sourced from PubChem (CID 155622047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).