7-[3-[3-(2-tert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]-5-(4-methyl-5-phenyl-2-pyridinyl)pyrido[2,3-b][1,4]benzotellurazine

C46H39N5OTe — CID 168840540

About 7-[3-[3-(2-tert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]-5-(4-methyl-5-phenyl-2-pyridinyl)pyrido[2,3-b][1,4]benzotellurazine

7-[3-[3-(2-tert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]-5-(4-methyl-5-phenyl-2-pyridinyl)pyrido[2,3-b][1,4]benzotellurazine (PubChem CID 168840540) has the molecular formula C46H39N5OTe and a molecular weight of 805.45 g/mol. Its IUPAC name is 7-[3-[3-(2-tert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]-5-(4-methyl-5-phenyl-2-pyridinyl)pyrido[2,3-b][1,4]benzotellurazine.

Molecular Properties

• Compound Name: 7-[3-[3-(2-tert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]-5-(4-methyl-5-phenyl-2-pyridinyl)pyrido[2,3-b][1,4]benzotellurazine
• PubChem CID: 168840540
• Molecular Formula: C46H39N5OTe
• Molecular Weight: 805.45 g/mol
• Exact Mass: 807.22
• IUPAC Name: 7-[3-[3-(2-tert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]-5-(4-methyl-5-phenyl-2-pyridinyl)pyrido[2,3-b][1,4]benzotellurazine
• SMILES: Cc1cc(N2c3cc(Oc4cccc(N5CN(c6ccccc6C(C)(C)C)c6ccccc65)c4)ccc3[Te]c3ncccc32)ncc1-c1ccccc1
• InChI: InChI=1S/C46H39N5OTe/c1-31-26-44(48-29-36(31)32-14-6-5-7-15-32)51-41-22-13-25-47-45(41)53-43-24-23-35(28-42(43)51)52-34-17-12-16-33(27-34)49-30-50(40-21-11-10-20-39(40)49)38-19-9-8-18-37(38)46(2,3)4/h5-29H,30H2,1-4H3
• InChIKey: TZYBDXLPUAIXAS-UHFFFAOYSA-N
• XLogP: 10.23
• TPSA: 44.73 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	805.45
LogP ≤ 5	10.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-[3-[3-(2-tert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]-5-(4-methyl-5-phenyl-2-pyridinyl)pyrido[2,3-b][1,4]benzotellurazine?

The IUPAC name of 7-[3-[3-(2-tert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]-5-(4-methyl-5-phenyl-2-pyridinyl)pyrido[2,3-b][1,4]benzotellurazine (CID 168840540) is 7-[3-[3-(2-tert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]-5-(4-methyl-5-phenyl-2-pyridinyl)pyrido[2,3-b][1,4]benzotellurazine.

What is the SMILES notation for 7-[3-[3-(2-tert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]-5-(4-methyl-5-phenyl-2-pyridinyl)pyrido[2,3-b][1,4]benzotellurazine?

The canonical SMILES for 7-[3-[3-(2-tert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]-5-(4-methyl-5-phenyl-2-pyridinyl)pyrido[2,3-b][1,4]benzotellurazine is Cc1cc(N2c3cc(Oc4cccc(N5CN(c6ccccc6C(C)(C)C)c6ccccc65)c4)ccc3[Te]c3ncccc32)ncc1-c1ccccc1.

What is the InChIKey of 7-[3-[3-(2-tert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]-5-(4-methyl-5-phenyl-2-pyridinyl)pyrido[2,3-b][1,4]benzotellurazine?

The InChIKey is TZYBDXLPUAIXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H39N5OTe/c1-31-26-44(48-29-36(31)32-14-6-5-7-15-32)51-41-22-13-25-47-45(41)53-43-24-23-35(28-42(43)51)52-34-17-12-16-33(27-34)49-30-50(40-21-11-10-20-39(40)49)38-19-9-8-18-37(38)46(2,3)4/h5-29H,30H2,1-4H3.

What are the key properties of 7-[3-[3-(2-tert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]-5-(4-methyl-5-phenyl-2-pyridinyl)pyrido[2,3-b][1,4]benzotellurazine?

7-[3-[3-(2-tert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]-5-(4-methyl-5-phenyl-2-pyridinyl)pyrido[2,3-b][1,4]benzotellurazine has a molecular weight of 805.45 g/mol, XLogP of 10.23, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[3-[3-(2-tert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]-5-(4-methyl-5-phenyl-2-pyridinyl)pyrido[2,3-b][1,4]benzotellurazine is sourced from PubChem (CID 168840540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).