9-[4-carbazol-9-yl-6-[2,4,6-trideuterio-3-[5-(2,3,4,5,6-pentadeuteriophenyl)-1-phenylbenzo[b][1]benzosilol-5-yl]-5-[5-(2,3,4,5,6-pentadeuteriophenyl)-3-phenylbenzo[b][1]benzosilol-5-yl]phenyl]-1,3,5-triazin-2-yl]carbazole

C81H53N5Si2 — CID 168800192

About 9-[4-carbazol-9-yl-6-[2,4,6-trideuterio-3-[5-(2,3,4,5,6-pentadeuteriophenyl)-1-phenylbenzo[b][1]benzosilol-5-yl]-5-[5-(2,3,4,5,6-pentadeuteriophenyl)-3-phenylbenzo[b][1]benzosilol-5-yl]phenyl]-1,3,5-triazin-2-yl]carbazole

9-[4-carbazol-9-yl-6-[2,4,6-trideuterio-3-[5-(2,3,4,5,6-pentadeuteriophenyl)-1-phenylbenzo[b][1]benzosilol-5-yl]-5-[5-(2,3,4,5,6-pentadeuteriophenyl)-3-phenylbenzo[b][1]benzosilol-5-yl]phenyl]-1,3,5-triazin-2-yl]carbazole (PubChem CID 168800192) has the molecular formula C81H53N5Si2 and a molecular weight of 1165.60 g/mol. Its IUPAC name is 9-[4-carbazol-9-yl-6-[2,4,6-trideuterio-3-[5-(2,3,4,5,6-pentadeuteriophenyl)-1-phenylbenzo[b][1]benzosilol-5-yl]-5-[5-(2,3,4,5,6-pentadeuteriophenyl)-3-phenylbenzo[b][1]benzosilol-5-yl]phenyl]-1,3,5-triazin-2-yl]carbazole.

Molecular Properties

• Compound Name: 9-[4-carbazol-9-yl-6-[2,4,6-trideuterio-3-[5-(2,3,4,5,6-pentadeuteriophenyl)-1-phenylbenzo[b][1]benzosilol-5-yl]-5-[5-(2,3,4,5,6-pentadeuteriophenyl)-3-phenylbenzo[b][1]benzosilol-5-yl]phenyl]-1,3,5-triazin-2-yl]carbazole
• PubChem CID: 168800192
• Molecular Formula: C81H53N5Si2
• Molecular Weight: 1165.60 g/mol
• Exact Mass: 1164.47
• IUPAC Name: 9-[4-carbazol-9-yl-6-[2,4,6-trideuterio-3-[5-(2,3,4,5,6-pentadeuteriophenyl)-1-phenylbenzo[b][1]benzosilol-5-yl]-5-[5-(2,3,4,5,6-pentadeuteriophenyl)-3-phenylbenzo[b][1]benzosilol-5-yl]phenyl]-1,3,5-triazin-2-yl]carbazole
• SMILES: [2H]c1c([2H])c([2H])c([Si]2(c3c([2H])c(-c4nc(-n5c6ccccc6c6ccccc65)nc(-n5c6ccccc6c6ccccc65)n4)c([2H])c([Si]4(c5c([2H])c([2H])c([2H])c([2H])c5[2H])c5ccccc5-c5c(-c6ccccc6)cccc54)c3[2H])c3ccccc3-c3ccc(-c4ccccc4)cc32)c([2H])c1[2H]
• InChI: InChI=1S/C81H53N5Si2/c1-5-26-54(27-6-1)56-48-49-68-67-38-17-23-45-74(67)88(77(68)52-56,59-32-11-4-12-33-59)61-51-57(50-60(53-61)87(58-30-9-3-10-31-58)75-46-24-18-39-69(75)78-62(40-25-47-76(78)87)55-28-7-2-8-29-55)79-82-80(85-70-41-19-13-34-63(70)64-35-14-20-42-71(64)85)84-81(83-79)86-72-43-21-15-36-65(72)66-37-16-22-44-73(66)86/h1-53H/i3D,4D,9D,10D,11D,12D,30D,31D,32D,33D,50D,51D,53D
• InChIKey: PXLUITYTCXUUNF-PDCHKYHHSA-N
• XLogP: 13.78
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1165.60
LogP ≤ 5	13.78
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 9-[4-carbazol-9-yl-6-[2,4,6-trideuterio-3-[5-(2,3,4,5,6-pentadeuteriophenyl)-1-phenylbenzo[b][1]benzosilol-5-yl]-5-[5-(2,3,4,5,6-pentadeuteriophenyl)-3-phenylbenzo[b][1]benzosilol-5-yl]phenyl]-1,3,5-triazin-2-yl]carbazole?

The IUPAC name of 9-[4-carbazol-9-yl-6-[2,4,6-trideuterio-3-[5-(2,3,4,5,6-pentadeuteriophenyl)-1-phenylbenzo[b][1]benzosilol-5-yl]-5-[5-(2,3,4,5,6-pentadeuteriophenyl)-3-phenylbenzo[b][1]benzosilol-5-yl]phenyl]-1,3,5-triazin-2-yl]carbazole (CID 168800192) is 9-[4-carbazol-9-yl-6-[2,4,6-trideuterio-3-[5-(2,3,4,5,6-pentadeuteriophenyl)-1-phenylbenzo[b][1]benzosilol-5-yl]-5-[5-(2,3,4,5,6-pentadeuteriophenyl)-3-phenylbenzo[b][1]benzosilol-5-yl]phenyl]-1,3,5-triazin-2-yl]carbazole.

What is the SMILES notation for 9-[4-carbazol-9-yl-6-[2,4,6-trideuterio-3-[5-(2,3,4,5,6-pentadeuteriophenyl)-1-phenylbenzo[b][1]benzosilol-5-yl]-5-[5-(2,3,4,5,6-pentadeuteriophenyl)-3-phenylbenzo[b][1]benzosilol-5-yl]phenyl]-1,3,5-triazin-2-yl]carbazole?

The canonical SMILES for 9-[4-carbazol-9-yl-6-[2,4,6-trideuterio-3-[5-(2,3,4,5,6-pentadeuteriophenyl)-1-phenylbenzo[b][1]benzosilol-5-yl]-5-[5-(2,3,4,5,6-pentadeuteriophenyl)-3-phenylbenzo[b][1]benzosilol-5-yl]phenyl]-1,3,5-triazin-2-yl]carbazole is [2H]c1c([2H])c([2H])c([Si]2(c3c([2H])c(-c4nc(-n5c6ccccc6c6ccccc65)nc(-n5c6ccccc6c6ccccc65)n4)c([2H])c([Si]4(c5c([2H])c([2H])c([2H])c([2H])c5[2H])c5ccccc5-c5c(-c6ccccc6)cccc54)c3[2H])c3ccccc3-c3ccc(-c4ccccc4)cc32)c([2H])c1[2H].

What is the InChIKey of 9-[4-carbazol-9-yl-6-[2,4,6-trideuterio-3-[5-(2,3,4,5,6-pentadeuteriophenyl)-1-phenylbenzo[b][1]benzosilol-5-yl]-5-[5-(2,3,4,5,6-pentadeuteriophenyl)-3-phenylbenzo[b][1]benzosilol-5-yl]phenyl]-1,3,5-triazin-2-yl]carbazole?

The InChIKey is PXLUITYTCXUUNF-PDCHKYHHSA-N. The full InChI is InChI=1S/C81H53N5Si2/c1-5-26-54(27-6-1)56-48-49-68-67-38-17-23-45-74(67)88(77(68)52-56,59-32-11-4-12-33-59)61-51-57(50-60(53-61)87(58-30-9-3-10-31-58)75-46-24-18-39-69(75)78-62(40-25-47-76(78)87)55-28-7-2-8-29-55)79-82-80(85-70-41-19-13-34-63(70)64-35-14-20-42-71(64)85)84-81(83-79)86-72-43-21-15-36-65(72)66-37-16-22-44-73(66)86/h1-53H/i3D,4D,9D,10D,11D,12D,30D,31D,32D,33D,50D,51D,53D.

What are the key properties of 9-[4-carbazol-9-yl-6-[2,4,6-trideuterio-3-[5-(2,3,4,5,6-pentadeuteriophenyl)-1-phenylbenzo[b][1]benzosilol-5-yl]-5-[5-(2,3,4,5,6-pentadeuteriophenyl)-3-phenylbenzo[b][1]benzosilol-5-yl]phenyl]-1,3,5-triazin-2-yl]carbazole?

9-[4-carbazol-9-yl-6-[2,4,6-trideuterio-3-[5-(2,3,4,5,6-pentadeuteriophenyl)-1-phenylbenzo[b][1]benzosilol-5-yl]-5-[5-(2,3,4,5,6-pentadeuteriophenyl)-3-phenylbenzo[b][1]benzosilol-5-yl]phenyl]-1,3,5-triazin-2-yl]carbazole has a molecular weight of 1165.60 g/mol, XLogP of 13.78, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-carbazol-9-yl-6-[2,4,6-trideuterio-3-[5-(2,3,4,5,6-pentadeuteriophenyl)-1-phenylbenzo[b][1]benzosilol-5-yl]-5-[5-(2,3,4,5,6-pentadeuteriophenyl)-3-phenylbenzo[b][1]benzosilol-5-yl]phenyl]-1,3,5-triazin-2-yl]carbazole is sourced from PubChem (CID 168800192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).