triphenyl-[2,3,4,5-tetradeuterio-6-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]silane

C52H36N4Si — CID 164843179

About triphenyl-[2,3,4,5-tetradeuterio-6-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]silane

triphenyl-[2,3,4,5-tetradeuterio-6-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]silane (PubChem CID 164843179) has the molecular formula C52H36N4Si and a molecular weight of 749.00 g/mol. Its IUPAC name is triphenyl-[2,3,4,5-tetradeuterio-6-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]silane.

Molecular Properties

• Compound Name: triphenyl-[2,3,4,5-tetradeuterio-6-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]silane
• PubChem CID: 164843179
• Molecular Formula: C52H36N4Si
• Molecular Weight: 749.00 g/mol
• Exact Mass: 748.30
• IUPAC Name: triphenyl-[2,3,4,5-tetradeuterio-6-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]silane
• SMILES: [2H]c1c([2H])c([2H])c([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c(-c2cc(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4ccccc43)n2)c1[2H]
• InChI: InChI=1S/C52H36N4Si/c1-4-20-37(21-5-1)57(38-22-6-2-7-23-38,39-24-8-3-9-25-39)50-35-19-14-30-44(50)45-36-51(55-46-31-15-10-26-40(46)41-27-11-16-32-47(41)55)54-52(53-45)56-48-33-17-12-28-42(48)43-29-13-18-34-49(43)56/h1-36H/i14D,19D,30D,35D
• InChIKey: WOHMVTZHACELIC-DBTCWWIYSA-N
• XLogP: 9.72
• TPSA: 35.64 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	749.00
LogP ≤ 5	9.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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-[2,3,4,5-tetradeuterio-6-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]silane?

The IUPAC name of triphenyl-[2,3,4,5-tetradeuterio-6-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]silane (CID 164843179) is triphenyl-[2,3,4,5-tetradeuterio-6-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]silane.

What is the SMILES notation for triphenyl-[2,3,4,5-tetradeuterio-6-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]silane?

The canonical SMILES for triphenyl-[2,3,4,5-tetradeuterio-6-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]silane is [2H]c1c([2H])c([2H])c([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c(-c2cc(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4ccccc43)n2)c1[2H].

What is the InChIKey of triphenyl-[2,3,4,5-tetradeuterio-6-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]silane?

The InChIKey is WOHMVTZHACELIC-DBTCWWIYSA-N. The full InChI is InChI=1S/C52H36N4Si/c1-4-20-37(21-5-1)57(38-22-6-2-7-23-38,39-24-8-3-9-25-39)50-35-19-14-30-44(50)45-36-51(55-46-31-15-10-26-40(46)41-27-11-16-32-47(41)55)54-52(53-45)56-48-33-17-12-28-42(48)43-29-13-18-34-49(43)56/h1-36H/i14D,19D,30D,35D.

What are the key properties of triphenyl-[2,3,4,5-tetradeuterio-6-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]silane?

triphenyl-[2,3,4,5-tetradeuterio-6-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]silane has a molecular weight of 749.00 g/mol, XLogP of 9.72, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for triphenyl-[2,3,4,5-tetradeuterio-6-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]silane is sourced from PubChem (CID 164843179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).