diphenyl-[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]-[2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)phenyl]silane

C75H50N6Si — CID 177070078

About diphenyl-[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]-[2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)phenyl]silane

diphenyl-[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]-[2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)phenyl]silane (PubChem CID 177070078) has the molecular formula C75H50N6Si and a molecular weight of 1091.52 g/mol. Its IUPAC name is diphenyl-[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]-[2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)phenyl]silane.

Molecular Properties

• Compound Name: diphenyl-[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]-[2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)phenyl]silane
• PubChem CID: 177070078
• Molecular Formula: C75H50N6Si
• Molecular Weight: 1091.52 g/mol
• Exact Mass: 1090.56
• IUPAC Name: diphenyl-[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]-[2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)phenyl]silane
• SMILES: [2H]c1c([2H])c([2H])c(-n2c3c([2H])c([2H])c([2H])c([2H])c3c3c([2H])c([2H])c([2H])c([2H])c32)c(-c2nc(-c3c([2H])c([2H])c([2H])c([Si](c4ccccc4)(c4ccccc4)c4c([2H])c([2H])c([2H])c(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c4[2H])c3[2H])nc(-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c([2H])c([2H])c([2H])c43)n2)c1[2H]
• InChI: InChI=1S/C75H50N6Si/c1-4-26-54(27-5-1)79-66-40-16-14-38-63(66)65-50-52(46-47-72(65)79)51-24-22-32-57(48-51)82(55-28-6-2-7-29-55,56-30-8-3-9-31-56)58-33-23-25-53(49-58)73-76-74(78-75(77-73)81-69-43-19-12-36-61(69)62-37-13-20-44-70(62)81)64-39-15-21-45-71(64)80-67-41-17-10-34-59(67)60-35-11-18-42-68(60)80/h1-50H/i10D,11D,12D,13D,15D,17D,18D,19D,20D,21D,22D,23D,24D,25D,32D,33D,34D,35D,36D,37D,39D,41D,42D,43D,44D,45D,48D,49D
• InChIKey: JTIRXRMHXXIRFV-USEVSRCFSA-N
• XLogP: 15.54
• TPSA: 53.46 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1091.52
LogP ≤ 5	15.54
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 diphenyl-[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]-[2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)phenyl]silane?

The IUPAC name of diphenyl-[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]-[2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)phenyl]silane (CID 177070078) is diphenyl-[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]-[2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)phenyl]silane.

What is the SMILES notation for diphenyl-[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]-[2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)phenyl]silane?

The canonical SMILES for diphenyl-[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]-[2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)phenyl]silane is [2H]c1c([2H])c([2H])c(-n2c3c([2H])c([2H])c([2H])c([2H])c3c3c([2H])c([2H])c([2H])c([2H])c32)c(-c2nc(-c3c([2H])c([2H])c([2H])c([Si](c4ccccc4)(c4ccccc4)c4c([2H])c([2H])c([2H])c(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c4[2H])c3[2H])nc(-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 diphenyl-[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]-[2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)phenyl]silane?

The InChIKey is JTIRXRMHXXIRFV-USEVSRCFSA-N. The full InChI is InChI=1S/C75H50N6Si/c1-4-26-54(27-5-1)79-66-40-16-14-38-63(66)65-50-52(46-47-72(65)79)51-24-22-32-57(48-51)82(55-28-6-2-7-29-55,56-30-8-3-9-31-56)58-33-23-25-53(49-58)73-76-74(78-75(77-73)81-69-43-19-12-36-61(69)62-37-13-20-44-70(62)81)64-39-15-21-45-71(64)80-67-41-17-10-34-59(67)60-35-11-18-42-68(60)80/h1-50H/i10D,11D,12D,13D,15D,17D,18D,19D,20D,21D,22D,23D,24D,25D,32D,33D,34D,35D,36D,37D,39D,41D,42D,43D,44D,45D,48D,49D.

What are the key properties of diphenyl-[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]-[2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)phenyl]silane?

diphenyl-[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]-[2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)phenyl]silane has a molecular weight of 1091.52 g/mol, XLogP of 15.54, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for diphenyl-[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]-[2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)phenyl]silane is sourced from PubChem (CID 177070078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).