[3-[4,6-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]-4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-triphenylsilane

C63H42N6Si — CID 171467517

About [3-[4,6-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]-4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-triphenylsilane

[3-[4,6-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]-4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-triphenylsilane (PubChem CID 171467517) has the molecular formula C63H42N6Si and a molecular weight of 935.30 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]-4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-triphenylsilane.

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]-4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-triphenylsilane
• PubChem CID: 171467517
• Molecular Formula: C63H42N6Si
• Molecular Weight: 935.30 g/mol
• Exact Mass: 934.47
• IUPAC Name: [3-[4,6-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]-4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-triphenylsilane
• SMILES: [2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2-c1nc(-c2cc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)ccc2-n2c3c([2H])c([2H])c([2H])c([2H])c3c3c([2H])c([2H])c([2H])c([2H])c32)nc(-n2c3c([2H])c([2H])c([2H])c([2H])c3c3c([2H])c([2H])c([2H])c([2H])c32)n1
• InChI: InChI=1S/C63H42N6Si/c1-4-22-43(23-5-1)70(44-24-6-2-7-25-44,45-26-8-3-9-27-45)46-40-41-60(67-54-34-16-10-28-47(54)48-29-11-17-35-55(48)67)53(42-46)61-64-62(68-56-36-18-12-30-49(56)50-31-13-19-37-57(50)68)66-63(65-61)69-58-38-20-14-32-51(58)52-33-15-21-39-59(52)69/h1-42H/i10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,28D,29D,30D,31D,32D,33D,34D,35D,36D,37D,38D,39D
• InChIKey: PSIMBJCMILUDBW-CTEQYVJISA-N
• XLogP: 12.21
• TPSA: 53.46 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	935.30
LogP ≤ 5	12.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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]-4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-triphenylsilane?

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]-4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-triphenylsilane (CID 171467517) is [3-[4,6-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]-4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-triphenylsilane.

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]-4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-triphenylsilane?

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]-4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-triphenylsilane is [2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2-c1nc(-c2cc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)ccc2-n2c3c([2H])c([2H])c([2H])c([2H])c3c3c([2H])c([2H])c([2H])c([2H])c32)nc(-n2c3c([2H])c([2H])c([2H])c([2H])c3c3c([2H])c([2H])c([2H])c([2H])c32)n1.

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]-4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-triphenylsilane?

The InChIKey is PSIMBJCMILUDBW-CTEQYVJISA-N. The full InChI is InChI=1S/C63H42N6Si/c1-4-22-43(23-5-1)70(44-24-6-2-7-25-44,45-26-8-3-9-27-45)46-40-41-60(67-54-34-16-10-28-47(54)48-29-11-17-35-55(48)67)53(42-46)61-64-62(68-56-36-18-12-30-49(56)50-31-13-19-37-57(50)68)66-63(65-61)69-58-38-20-14-32-51(58)52-33-15-21-39-59(52)69/h1-42H/i10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,28D,29D,30D,31D,32D,33D,34D,35D,36D,37D,38D,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]-4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-triphenylsilane?

[3-[4,6-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]-4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-triphenylsilane has a molecular weight of 935.30 g/mol, XLogP of 12.21, 8 rotatable bonds, 0 hydrogen bond donors, and 6 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]-4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-triphenylsilane is sourced from PubChem (CID 171467517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).