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

C75H51N5Si — CID 177070155

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

[2,3,4,6-tetradeuterio-5-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-[2,3,4,5-tetradeuterio-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-tris[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]silane (PubChem CID 177070155) has the molecular formula C75H51N5Si and a molecular weight of 1101.67 g/mol. Its IUPAC name is [2,3,4,6-tetradeuterio-5-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-[2,3,4,5-tetradeuterio-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-tris[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]silane.

Molecular Properties

• Compound Name: [2,3,4,6-tetradeuterio-5-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-[2,3,4,5-tetradeuterio-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-tris[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]silane
• PubChem CID: 177070155
• Molecular Formula: C75H51N5Si
• Molecular Weight: 1101.67 g/mol
• Exact Mass: 1100.71
• IUPAC Name: [2,3,4,6-tetradeuterio-5-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-[2,3,4,5-tetradeuterio-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-tris[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]silane
• SMILES: [2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c([2H])c([Si](c3c([2H])c([2H])c([2H])c(-c4nc(-c5c([2H])c([2H])c([2H])c([2H])c5-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(-c4c([2H])c([2H])c([2H])c([2H])c4[2H])c3[2H])c3c([2H])c([2H])c([2H])c(-c4c([2H])c([2H])c([2H])c([2H])c4[2H])c3[2H])c2[2H])c([2H])c1[2H]
• InChI: InChI=1S/C75H51N5Si/c1-4-24-52(25-5-1)55-30-20-34-59(48-55)81(60-35-21-31-56(49-60)53-26-6-2-7-27-53,61-36-22-32-57(50-61)54-28-8-3-9-29-54)62-37-23-33-58(51-62)73-76-74(78-75(77-73)80-70-45-17-12-40-65(70)66-41-13-18-46-71(66)80)67-42-14-19-47-72(67)79-68-43-15-10-38-63(68)64-39-11-16-44-69(64)79/h1-51H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,23D,24D,25D,26D,27D,28D,29D,30D,31D,32D,33D,34D,35D,36D,37D,38D,39D,40D,41D,42D,43D,44D,45D,46D,47D,48D,49D,50D,51D
• InChIKey: BZHIMYKYBZXJCJ-HIWQEGAASA-N
• XLogP: 15.78
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1101.67
LogP ≤ 5	15.78
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 [2,3,4,6-tetradeuterio-5-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-[2,3,4,5-tetradeuterio-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-tris[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]silane?

The IUPAC name of [2,3,4,6-tetradeuterio-5-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-[2,3,4,5-tetradeuterio-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-tris[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]silane (CID 177070155) is [2,3,4,6-tetradeuterio-5-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-[2,3,4,5-tetradeuterio-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-tris[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]silane.

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

The canonical SMILES for [2,3,4,6-tetradeuterio-5-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-[2,3,4,5-tetradeuterio-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-tris[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]silane is [2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c([2H])c([Si](c3c([2H])c([2H])c([2H])c(-c4nc(-c5c([2H])c([2H])c([2H])c([2H])c5-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(-c4c([2H])c([2H])c([2H])c([2H])c4[2H])c3[2H])c3c([2H])c([2H])c([2H])c(-c4c([2H])c([2H])c([2H])c([2H])c4[2H])c3[2H])c2[2H])c([2H])c1[2H].

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

The InChIKey is BZHIMYKYBZXJCJ-HIWQEGAASA-N. The full InChI is InChI=1S/C75H51N5Si/c1-4-24-52(25-5-1)55-30-20-34-59(48-55)81(60-35-21-31-56(49-60)53-26-6-2-7-27-53,61-36-22-32-57(50-61)54-28-8-3-9-29-54)62-37-23-33-58(51-62)73-76-74(78-75(77-73)80-70-45-17-12-40-65(70)66-41-13-18-46-71(66)80)67-42-14-19-47-72(67)79-68-43-15-10-38-63(68)64-39-11-16-44-69(64)79/h1-51H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,23D,24D,25D,26D,27D,28D,29D,30D,31D,32D,33D,34D,35D,36D,37D,38D,39D,40D,41D,42D,43D,44D,45D,46D,47D,48D,49D,50D,51D.

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

[2,3,4,6-tetradeuterio-5-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-[2,3,4,5-tetradeuterio-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-tris[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]silane has a molecular weight of 1101.67 g/mol, XLogP of 15.78, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [2,3,4,6-tetradeuterio-5-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-[2,3,4,5-tetradeuterio-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-tris[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]silane is sourced from PubChem (CID 177070155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).