diphenyl-[9-[4-(2-phenylphenyl)-2-pyridinyl]carbazol-2-yl]-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]silane

C55H42N4Si — CID 167382895

About diphenyl-[9-[4-(2-phenylphenyl)-2-pyridinyl]carbazol-2-yl]-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]silane

diphenyl-[9-[4-(2-phenylphenyl)-2-pyridinyl]carbazol-2-yl]-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]silane (PubChem CID 167382895) has the molecular formula C55H42N4Si and a molecular weight of 790.07 g/mol. Its IUPAC name is diphenyl-[9-[4-(2-phenylphenyl)-2-pyridinyl]carbazol-2-yl]-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]silane.

Molecular Properties

• Compound Name: diphenyl-[9-[4-(2-phenylphenyl)-2-pyridinyl]carbazol-2-yl]-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]silane
• PubChem CID: 167382895
• Molecular Formula: C55H42N4Si
• Molecular Weight: 790.07 g/mol
• Exact Mass: 789.34
• IUPAC Name: diphenyl-[9-[4-(2-phenylphenyl)-2-pyridinyl]carbazol-2-yl]-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]silane
• SMILES: [2H]C([2H])([2H])N1CN(c2cccc([Si](c3ccccc3)(c3ccccc3)c3ccc4c5ccccc5n(-c5cc(-c6ccccc6-c6ccccc6)ccn5)c4c3)c2)c2ccccc21
• InChI: InChI=1S/C55H42N4Si/c1-57-39-58(53-31-16-15-30-52(53)57)42-20-17-25-45(37-42)60(43-21-7-3-8-22-43,44-23-9-4-10-24-44)46-32-33-50-49-28-13-14-29-51(49)59(54(50)38-46)55-36-41(34-35-56-55)48-27-12-11-26-47(48)40-18-5-2-6-19-40/h2-38H,39H2,1H3/i1D3
• InChIKey: NJKSTOFDVMUCNI-FIBGUPNXSA-N
• XLogP: 10.44
• TPSA: 24.30 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	790.07
LogP ≤ 5	10.44
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 diphenyl-[9-[4-(2-phenylphenyl)-2-pyridinyl]carbazol-2-yl]-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]silane?

The IUPAC name of diphenyl-[9-[4-(2-phenylphenyl)-2-pyridinyl]carbazol-2-yl]-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]silane (CID 167382895) is diphenyl-[9-[4-(2-phenylphenyl)-2-pyridinyl]carbazol-2-yl]-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]silane.

What is the SMILES notation for diphenyl-[9-[4-(2-phenylphenyl)-2-pyridinyl]carbazol-2-yl]-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]silane?

The canonical SMILES for diphenyl-[9-[4-(2-phenylphenyl)-2-pyridinyl]carbazol-2-yl]-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]silane is [2H]C([2H])([2H])N1CN(c2cccc([Si](c3ccccc3)(c3ccccc3)c3ccc4c5ccccc5n(-c5cc(-c6ccccc6-c6ccccc6)ccn5)c4c3)c2)c2ccccc21.

What is the InChIKey of diphenyl-[9-[4-(2-phenylphenyl)-2-pyridinyl]carbazol-2-yl]-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]silane?

The InChIKey is NJKSTOFDVMUCNI-FIBGUPNXSA-N. The full InChI is InChI=1S/C55H42N4Si/c1-57-39-58(53-31-16-15-30-52(53)57)42-20-17-25-45(37-42)60(43-21-7-3-8-22-43,44-23-9-4-10-24-44)46-32-33-50-49-28-13-14-29-51(49)59(54(50)38-46)55-36-41(34-35-56-55)48-27-12-11-26-47(48)40-18-5-2-6-19-40/h2-38H,39H2,1H3/i1D3.

What are the key properties of diphenyl-[9-[4-(2-phenylphenyl)-2-pyridinyl]carbazol-2-yl]-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]silane?

diphenyl-[9-[4-(2-phenylphenyl)-2-pyridinyl]carbazol-2-yl]-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]silane has a molecular weight of 790.07 g/mol, XLogP of 10.44, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for diphenyl-[9-[4-(2-phenylphenyl)-2-pyridinyl]carbazol-2-yl]-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]silane is sourced from PubChem (CID 167382895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).