9-[4-(2,6-diphenylphenyl)-2-pyridinyl]-2-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenoxy]carbazole

C49H36N4O — CID 167401517

About 9-[4-(2,6-diphenylphenyl)-2-pyridinyl]-2-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenoxy]carbazole

9-[4-(2,6-diphenylphenyl)-2-pyridinyl]-2-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenoxy]carbazole (PubChem CID 167401517) has the molecular formula C49H36N4O and a molecular weight of 699.87 g/mol. Its IUPAC name is 9-[4-(2,6-diphenylphenyl)-2-pyridinyl]-2-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenoxy]carbazole.

Molecular Properties

• Compound Name: 9-[4-(2,6-diphenylphenyl)-2-pyridinyl]-2-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenoxy]carbazole
• PubChem CID: 167401517
• Molecular Formula: C49H36N4O
• Molecular Weight: 699.87 g/mol
• Exact Mass: 699.31
• IUPAC Name: 9-[4-(2,6-diphenylphenyl)-2-pyridinyl]-2-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenoxy]carbazole
• SMILES: [2H]C([2H])([2H])N1CN(c2cccc(Oc3ccc4c5ccccc5n(-c5cc(-c6c(-c7ccccc7)cccc6-c6ccccc6)ccn5)c4c3)c2)c2ccccc21
• InChI: InChI=1S/C49H36N4O/c1-51-33-52(46-25-11-10-24-45(46)51)37-18-12-19-38(31-37)54-39-26-27-43-42-20-8-9-23-44(42)53(47(43)32-39)48-30-36(28-29-50-48)49-40(34-14-4-2-5-15-34)21-13-22-41(49)35-16-6-3-7-17-35/h2-32H,33H2,1H3/i1D3
• InChIKey: CWCGPRIRAMEHGF-FIBGUPNXSA-N
• XLogP: 12.52
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	699.87
LogP ≤ 5	12.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 9-[4-(2,6-diphenylphenyl)-2-pyridinyl]-2-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenoxy]carbazole?

The IUPAC name of 9-[4-(2,6-diphenylphenyl)-2-pyridinyl]-2-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenoxy]carbazole (CID 167401517) is 9-[4-(2,6-diphenylphenyl)-2-pyridinyl]-2-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenoxy]carbazole.

What is the SMILES notation for 9-[4-(2,6-diphenylphenyl)-2-pyridinyl]-2-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenoxy]carbazole?

The canonical SMILES for 9-[4-(2,6-diphenylphenyl)-2-pyridinyl]-2-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenoxy]carbazole is [2H]C([2H])([2H])N1CN(c2cccc(Oc3ccc4c5ccccc5n(-c5cc(-c6c(-c7ccccc7)cccc6-c6ccccc6)ccn5)c4c3)c2)c2ccccc21.

What is the InChIKey of 9-[4-(2,6-diphenylphenyl)-2-pyridinyl]-2-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenoxy]carbazole?

The InChIKey is CWCGPRIRAMEHGF-FIBGUPNXSA-N. The full InChI is InChI=1S/C49H36N4O/c1-51-33-52(46-25-11-10-24-45(46)51)37-18-12-19-38(31-37)54-39-26-27-43-42-20-8-9-23-44(42)53(47(43)32-39)48-30-36(28-29-50-48)49-40(34-14-4-2-5-15-34)21-13-22-41(49)35-16-6-3-7-17-35/h2-32H,33H2,1H3/i1D3.

What are the key properties of 9-[4-(2,6-diphenylphenyl)-2-pyridinyl]-2-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenoxy]carbazole?

9-[4-(2,6-diphenylphenyl)-2-pyridinyl]-2-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenoxy]carbazole has a molecular weight of 699.87 g/mol, XLogP of 12.52, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-(2,6-diphenylphenyl)-2-pyridinyl]-2-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenoxy]carbazole is sourced from PubChem (CID 167401517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).