triphenyl-[2,3,4,6-tetradeuterio-5-[4-[2-(1,2,3,4,5,6,7-heptadeuteriocarbazol-9-yl)-5-triphenylsilylphenyl]-6-(2-triphenylsilylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]silane

C93H67N5Si3 — CID 171467495

About triphenyl-[2,3,4,6-tetradeuterio-5-[4-[2-(1,2,3,4,5,6,7-heptadeuteriocarbazol-9-yl)-5-triphenylsilylphenyl]-6-(2-triphenylsilylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]silane

triphenyl-[2,3,4,6-tetradeuterio-5-[4-[2-(1,2,3,4,5,6,7-heptadeuteriocarbazol-9-yl)-5-triphenylsilylphenyl]-6-(2-triphenylsilylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]silane (PubChem CID 171467495) has the molecular formula C93H67N5Si3 and a molecular weight of 1349.92 g/mol. Its IUPAC name is triphenyl-[2,3,4,6-tetradeuterio-5-[4-[2-(1,2,3,4,5,6,7-heptadeuteriocarbazol-9-yl)-5-triphenylsilylphenyl]-6-(2-triphenylsilylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]silane.

Molecular Properties

• Compound Name: triphenyl-[2,3,4,6-tetradeuterio-5-[4-[2-(1,2,3,4,5,6,7-heptadeuteriocarbazol-9-yl)-5-triphenylsilylphenyl]-6-(2-triphenylsilylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]silane
• PubChem CID: 171467495
• Molecular Formula: C93H67N5Si3
• Molecular Weight: 1349.92 g/mol
• Exact Mass: 1348.54
• IUPAC Name: triphenyl-[2,3,4,6-tetradeuterio-5-[4-[2-(1,2,3,4,5,6,7-heptadeuteriocarbazol-9-yl)-5-triphenylsilylphenyl]-6-(2-triphenylsilylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]silane
• SMILES: [2H]c1cc2c(c([2H])c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2-c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc1-c1nc(-c2c([2H])c([2H])c([2H])c([Si](c3ccccc3)(c3ccccc3)c3ccccc3)c2[2H])nc(-n2c3ccccc3c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc32)n1
• InChI: InChI=1S/C93H67N5Si3/c1-10-36-69(37-11-1)99(70-38-12-2-13-39-70,71-40-14-3-15-41-71)78-54-34-35-68(65-78)91-94-92(96-93(95-91)98-88-60-33-30-57-83(88)84-63-61-80(67-90(84)98)101(75-48-22-7-23-49-75,76-50-24-8-25-51-76)77-52-26-9-27-53-77)85-66-79(62-64-89(85)97-86-58-31-28-55-81(86)82-56-29-32-59-87(82)97)100(72-42-16-4-17-43-72,73-44-18-5-19-45-73)74-46-20-6-21-47-74/h1-67H/i28D,29D,31D,32D,34D,35D,54D,55D,56D,58D,65D
• InChIKey: WLJKCZZQTNPXIO-NYHYBOGSSA-N
• XLogP: 13.53
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 16
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1349.92
LogP ≤ 5	13.53
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-[2,3,4,6-tetradeuterio-5-[4-[2-(1,2,3,4,5,6,7-heptadeuteriocarbazol-9-yl)-5-triphenylsilylphenyl]-6-(2-triphenylsilylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]silane?

The IUPAC name of triphenyl-[2,3,4,6-tetradeuterio-5-[4-[2-(1,2,3,4,5,6,7-heptadeuteriocarbazol-9-yl)-5-triphenylsilylphenyl]-6-(2-triphenylsilylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]silane (CID 171467495) is triphenyl-[2,3,4,6-tetradeuterio-5-[4-[2-(1,2,3,4,5,6,7-heptadeuteriocarbazol-9-yl)-5-triphenylsilylphenyl]-6-(2-triphenylsilylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]silane.

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

The canonical SMILES for triphenyl-[2,3,4,6-tetradeuterio-5-[4-[2-(1,2,3,4,5,6,7-heptadeuteriocarbazol-9-yl)-5-triphenylsilylphenyl]-6-(2-triphenylsilylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]silane is [2H]c1cc2c(c([2H])c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2-c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc1-c1nc(-c2c([2H])c([2H])c([2H])c([Si](c3ccccc3)(c3ccccc3)c3ccccc3)c2[2H])nc(-n2c3ccccc3c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc32)n1.

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

The InChIKey is WLJKCZZQTNPXIO-NYHYBOGSSA-N. The full InChI is InChI=1S/C93H67N5Si3/c1-10-36-69(37-11-1)99(70-38-12-2-13-39-70,71-40-14-3-15-41-71)78-54-34-35-68(65-78)91-94-92(96-93(95-91)98-88-60-33-30-57-83(88)84-63-61-80(67-90(84)98)101(75-48-22-7-23-49-75,76-50-24-8-25-51-76)77-52-26-9-27-53-77)85-66-79(62-64-89(85)97-86-58-31-28-55-81(86)82-56-29-32-59-87(82)97)100(72-42-16-4-17-43-72,73-44-18-5-19-45-73)74-46-20-6-21-47-74/h1-67H/i28D,29D,31D,32D,34D,35D,54D,55D,56D,58D,65D.

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

triphenyl-[2,3,4,6-tetradeuterio-5-[4-[2-(1,2,3,4,5,6,7-heptadeuteriocarbazol-9-yl)-5-triphenylsilylphenyl]-6-(2-triphenylsilylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]silane has a molecular weight of 1349.92 g/mol, XLogP of 13.53, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for triphenyl-[2,3,4,6-tetradeuterio-5-[4-[2-(1,2,3,4,5,6,7-heptadeuteriocarbazol-9-yl)-5-triphenylsilylphenyl]-6-(2-triphenylsilylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]silane is sourced from PubChem (CID 171467495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).