triphenyl-[4-[4-[2,3,4,5-tetradeuterio-6-(1,2,4,6,7,8,9-heptadeuteriodibenzothiophen-3-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 176722211

About triphenyl-[4-[4-[2,3,4,5-tetradeuterio-6-(1,2,4,6,7,8,9-heptadeuteriodibenzothiophen-3-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-[4-[4-[2,3,4,5-tetradeuterio-6-(1,2,4,6,7,8,9-heptadeuteriodibenzothiophen-3-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 176722211) has the molecular formula C63H42N4SSi and a molecular weight of 938.35 g/mol. Its IUPAC name is triphenyl-[4-[4-[2,3,4,5-tetradeuterio-6-(1,2,4,6,7,8,9-heptadeuteriodibenzothiophen-3-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-[4-[4-[2,3,4,5-tetradeuterio-6-(1,2,4,6,7,8,9-heptadeuteriodibenzothiophen-3-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: 176722211
• Molecular Formula: C63H42N4SSi
• Molecular Weight: 938.35 g/mol
• Exact Mass: 937.43
• IUPAC Name: triphenyl-[4-[4-[2,3,4,5-tetradeuterio-6-(1,2,4,6,7,8,9-heptadeuteriodibenzothiophen-3-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([2H])c(-c2c([2H])c([2H])c3c(sc4c([2H])c([2H])c([2H])c([2H])c43)c2[2H])c(-c2nc(-c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc3)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)c1[2H]
• InChI: InChI=1S/C63H42N4SSi/c1-4-20-45(21-5-1)69(46-22-6-2-7-23-46,47-24-8-3-9-25-47)48-39-36-43(37-40-48)61-64-62(54-30-11-10-26-49(54)44-38-41-53-52-29-15-19-35-59(52)68-60(53)42-44)66-63(65-61)55-31-14-18-34-58(55)67-56-32-16-12-27-50(56)51-28-13-17-33-57(51)67/h1-42H/i10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,26D,27D,28D,29D,30D,31D,32D,33D,34D,35D,38D,41D,42D
• InChIKey: DJWZHSYGNRVJHA-SXTVPKJFSA-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-[4-[4-[2,3,4,5-tetradeuterio-6-(1,2,4,6,7,8,9-heptadeuteriodibenzothiophen-3-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-[4-[4-[2,3,4,5-tetradeuterio-6-(1,2,4,6,7,8,9-heptadeuteriodibenzothiophen-3-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 176722211) is triphenyl-[4-[4-[2,3,4,5-tetradeuterio-6-(1,2,4,6,7,8,9-heptadeuteriodibenzothiophen-3-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-[4-[4-[2,3,4,5-tetradeuterio-6-(1,2,4,6,7,8,9-heptadeuteriodibenzothiophen-3-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-[4-[4-[2,3,4,5-tetradeuterio-6-(1,2,4,6,7,8,9-heptadeuteriodibenzothiophen-3-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([2H])c(-c2c([2H])c([2H])c3c(sc4c([2H])c([2H])c([2H])c([2H])c43)c2[2H])c(-c2nc(-c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc3)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)c1[2H].

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

What are the key properties of triphenyl-[4-[4-[2,3,4,5-tetradeuterio-6-(1,2,4,6,7,8,9-heptadeuteriodibenzothiophen-3-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-[4-[4-[2,3,4,5-tetradeuterio-6-(1,2,4,6,7,8,9-heptadeuteriodibenzothiophen-3-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-[4-[4-[2,3,4,5-tetradeuterio-6-(1,2,4,6,7,8,9-heptadeuteriodibenzothiophen-3-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 176722211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).