triphenyl-[3-[4-[2,3,4,6-tetradeuterio-5-(1,2,3,6,7,8,9-heptadeuteriodibenzothiophen-4-yl)phenyl]-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]silane

C63H42N4SSi — CID 176722136

About triphenyl-[3-[4-[2,3,4,6-tetradeuterio-5-(1,2,3,6,7,8,9-heptadeuteriodibenzothiophen-4-yl)phenyl]-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]silane

triphenyl-[3-[4-[2,3,4,6-tetradeuterio-5-(1,2,3,6,7,8,9-heptadeuteriodibenzothiophen-4-yl)phenyl]-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]silane (PubChem CID 176722136) has the molecular formula C63H42N4SSi and a molecular weight of 938.35 g/mol. Its IUPAC name is triphenyl-[3-[4-[2,3,4,6-tetradeuterio-5-(1,2,3,6,7,8,9-heptadeuteriodibenzothiophen-4-yl)phenyl]-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]silane.

Molecular Properties

• Compound Name: triphenyl-[3-[4-[2,3,4,6-tetradeuterio-5-(1,2,3,6,7,8,9-heptadeuteriodibenzothiophen-4-yl)phenyl]-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]silane
• PubChem CID: 176722136
• Molecular Formula: C63H42N4SSi
• Molecular Weight: 938.35 g/mol
• Exact Mass: 937.43
• IUPAC Name: triphenyl-[3-[4-[2,3,4,6-tetradeuterio-5-(1,2,3,6,7,8,9-heptadeuteriodibenzothiophen-4-yl)phenyl]-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]silane
• SMILES: [2H]c1c([2H])c(-c2nc(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)c3)nc(-c3c([2H])c([2H])c([2H])c([2H])c3-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c([2H])c([2H])c([2H])c43)n2)c([2H])c(-c2c([2H])c([2H])c([2H])c3c2sc2c([2H])c([2H])c([2H])c([2H])c23)c1[2H]
• InChI: InChI=1S/C63H42N4SSi/c1-4-24-46(25-5-1)69(47-26-6-2-7-27-47,48-28-8-3-9-29-48)49-30-19-23-45(42-49)62-64-61(44-22-18-21-43(41-44)50-35-20-36-54-53-33-13-17-40-59(53)68-60(50)54)65-63(66-62)55-34-12-16-39-58(55)67-56-37-14-10-31-51(56)52-32-11-15-38-57(52)67/h1-42H/i10D,11D,12D,13D,14D,15D,16D,17D,18D,20D,21D,22D,31D,32D,33D,34D,35D,36D,37D,38D,39D,40D,41D
• InChIKey: ZBHOCSURKRHNGX-VBXDJSCXSA-N
• XLogP: 13.38
• TPSA: 43.60 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	938.35
LogP ≤ 5	13.38
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 triphenyl-[3-[4-[2,3,4,6-tetradeuterio-5-(1,2,3,6,7,8,9-heptadeuteriodibenzothiophen-4-yl)phenyl]-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]silane?

The IUPAC name of triphenyl-[3-[4-[2,3,4,6-tetradeuterio-5-(1,2,3,6,7,8,9-heptadeuteriodibenzothiophen-4-yl)phenyl]-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]silane (CID 176722136) is triphenyl-[3-[4-[2,3,4,6-tetradeuterio-5-(1,2,3,6,7,8,9-heptadeuteriodibenzothiophen-4-yl)phenyl]-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]silane.

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

The canonical SMILES for triphenyl-[3-[4-[2,3,4,6-tetradeuterio-5-(1,2,3,6,7,8,9-heptadeuteriodibenzothiophen-4-yl)phenyl]-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]silane is [2H]c1c([2H])c(-c2nc(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)c3)nc(-c3c([2H])c([2H])c([2H])c([2H])c3-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c([2H])c([2H])c([2H])c43)n2)c([2H])c(-c2c([2H])c([2H])c([2H])c3c2sc2c([2H])c([2H])c([2H])c([2H])c23)c1[2H].

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

The InChIKey is ZBHOCSURKRHNGX-VBXDJSCXSA-N. The full InChI is InChI=1S/C63H42N4SSi/c1-4-24-46(25-5-1)69(47-26-6-2-7-27-47,48-28-8-3-9-29-48)49-30-19-23-45(42-49)62-64-61(44-22-18-21-43(41-44)50-35-20-36-54-53-33-13-17-40-59(53)68-60(50)54)65-63(66-62)55-34-12-16-39-58(55)67-56-37-14-10-31-51(56)52-32-11-15-38-57(52)67/h1-42H/i10D,11D,12D,13D,14D,15D,16D,17D,18D,20D,21D,22D,31D,32D,33D,34D,35D,36D,37D,38D,39D,40D,41D.

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

triphenyl-[3-[4-[2,3,4,6-tetradeuterio-5-(1,2,3,6,7,8,9-heptadeuteriodibenzothiophen-4-yl)phenyl]-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]silane has a molecular weight of 938.35 g/mol, XLogP of 13.38, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for triphenyl-[3-[4-[2,3,4,6-tetradeuterio-5-(1,2,3,6,7,8,9-heptadeuteriodibenzothiophen-4-yl)phenyl]-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]silane is sourced from PubChem (CID 176722136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).