[3-[4,6-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]-2,4,5,6-tetradeuteriophenyl]-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-phenyl-[2,3,4,5-tetradeuterio-6-(trideuteriomethyl)phenyl]silane

C58H41N5Si — CID 176751583

About [3-[4,6-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]-2,4,5,6-tetradeuteriophenyl]-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-phenyl-[2,3,4,5-tetradeuterio-6-(trideuteriomethyl)phenyl]silane

[3-[4,6-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]-2,4,5,6-tetradeuteriophenyl]-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-phenyl-[2,3,4,5-tetradeuterio-6-(trideuteriomethyl)phenyl]silane (PubChem CID 176751583) has the molecular formula C58H41N5Si and a molecular weight of 868.28 g/mol. Its IUPAC name is [3-[4,6-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]-2,4,5,6-tetradeuteriophenyl]-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-phenyl-[2,3,4,5-tetradeuterio-6-(trideuteriomethyl)phenyl]silane.

Molecular Properties

• Compound Name: [3-[4,6-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]-2,4,5,6-tetradeuteriophenyl]-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-phenyl-[2,3,4,5-tetradeuterio-6-(trideuteriomethyl)phenyl]silane
• PubChem CID: 176751583
• Molecular Formula: C58H41N5Si
• Molecular Weight: 868.28 g/mol
• Exact Mass: 867.51
• IUPAC Name: [3-[4,6-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]-2,4,5,6-tetradeuteriophenyl]-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-phenyl-[2,3,4,5-tetradeuterio-6-(trideuteriomethyl)phenyl]silane
• SMILES: [2H]c1c([2H])c([2H])c(-c2cccc([Si](c3ccccc3)(c3c([2H])c([2H])c([2H])c(-c4nc(-n5c6c([2H])c([2H])c([2H])c([2H])c6c6c([2H])c([2H])c([2H])c([2H])c65)nc(-n5c6c([2H])c([2H])c([2H])c([2H])c6c6c([2H])c([2H])c([2H])c([2H])c65)n4)c3[2H])c3c([2H])c([2H])c([2H])c([2H])c3C([2H])([2H])[2H])c2)c([2H])c1[2H]
• InChI: InChI=1S/C58H41N5Si/c1-40-20-8-17-37-55(40)64(44-25-6-3-7-26-44,45-27-18-23-42(38-45)41-21-4-2-5-22-41)46-28-19-24-43(39-46)56-59-57(62-51-33-13-9-29-47(51)48-30-10-14-34-52(48)62)61-58(60-56)63-53-35-15-11-31-49(53)50-32-12-16-36-54(50)63/h2-39H,1H3/i1D3,2D,4D,5D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,19D,20D,21D,22D,24D,28D,29D,30D,31D,32D,33D,34D,35D,36D,37D,39D
• InChIKey: GISAXVXLWDSALY-QDCUXMHZSA-N
• XLogP: 11.09
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	868.28
LogP ≤ 5	11.09
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-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]-2,4,5,6-tetradeuteriophenyl]-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-phenyl-[2,3,4,5-tetradeuterio-6-(trideuteriomethyl)phenyl]silane?

The IUPAC name of [3-[4,6-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]-2,4,5,6-tetradeuteriophenyl]-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-phenyl-[2,3,4,5-tetradeuterio-6-(trideuteriomethyl)phenyl]silane (CID 176751583) is [3-[4,6-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]-2,4,5,6-tetradeuteriophenyl]-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-phenyl-[2,3,4,5-tetradeuterio-6-(trideuteriomethyl)phenyl]silane.

What is the SMILES notation for [3-[4,6-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]-2,4,5,6-tetradeuteriophenyl]-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-phenyl-[2,3,4,5-tetradeuterio-6-(trideuteriomethyl)phenyl]silane?

The canonical SMILES for [3-[4,6-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]-2,4,5,6-tetradeuteriophenyl]-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-phenyl-[2,3,4,5-tetradeuterio-6-(trideuteriomethyl)phenyl]silane is [2H]c1c([2H])c([2H])c(-c2cccc([Si](c3ccccc3)(c3c([2H])c([2H])c([2H])c(-c4nc(-n5c6c([2H])c([2H])c([2H])c([2H])c6c6c([2H])c([2H])c([2H])c([2H])c65)nc(-n5c6c([2H])c([2H])c([2H])c([2H])c6c6c([2H])c([2H])c([2H])c([2H])c65)n4)c3[2H])c3c([2H])c([2H])c([2H])c([2H])c3C([2H])([2H])[2H])c2)c([2H])c1[2H].

What is the InChIKey of [3-[4,6-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]-2,4,5,6-tetradeuteriophenyl]-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-phenyl-[2,3,4,5-tetradeuterio-6-(trideuteriomethyl)phenyl]silane?

The InChIKey is GISAXVXLWDSALY-QDCUXMHZSA-N. The full InChI is InChI=1S/C58H41N5Si/c1-40-20-8-17-37-55(40)64(44-25-6-3-7-26-44,45-27-18-23-42(38-45)41-21-4-2-5-22-41)46-28-19-24-43(39-46)56-59-57(62-51-33-13-9-29-47(51)48-30-10-14-34-52(48)62)61-58(60-56)63-53-35-15-11-31-49(53)50-32-12-16-36-54(50)63/h2-39H,1H3/i1D3,2D,4D,5D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,19D,20D,21D,22D,24D,28D,29D,30D,31D,32D,33D,34D,35D,36D,37D,39D.

What are the key properties of [3-[4,6-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]-2,4,5,6-tetradeuteriophenyl]-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-phenyl-[2,3,4,5-tetradeuterio-6-(trideuteriomethyl)phenyl]silane?

[3-[4,6-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]-2,4,5,6-tetradeuteriophenyl]-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-phenyl-[2,3,4,5-tetradeuterio-6-(trideuteriomethyl)phenyl]silane has a molecular weight of 868.28 g/mol, XLogP of 11.09, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[4,6-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]-2,4,5,6-tetradeuteriophenyl]-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-phenyl-[2,3,4,5-tetradeuterio-6-(trideuteriomethyl)phenyl]silane is sourced from PubChem (CID 176751583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).