2-[3-[3-(3-tert-butyl-5-phenylphenyl)-2H-imidazo[4,5-b]pyridin-1-yl]phenoxy]-10-(4-tert-butyl-2-pyridinyl)phenotellurazine

C49H45N5OTe — CID 168840596

About 2-[3-[3-(3-tert-butyl-5-phenylphenyl)-2H-imidazo[4,5-b]pyridin-1-yl]phenoxy]-10-(4-tert-butyl-2-pyridinyl)phenotellurazine

2-[3-[3-(3-tert-butyl-5-phenylphenyl)-2H-imidazo[4,5-b]pyridin-1-yl]phenoxy]-10-(4-tert-butyl-2-pyridinyl)phenotellurazine (PubChem CID 168840596) has the molecular formula C49H45N5OTe and a molecular weight of 847.53 g/mol. Its IUPAC name is 2-[3-[3-(3-tert-butyl-5-phenylphenyl)-2H-imidazo[4,5-b]pyridin-1-yl]phenoxy]-10-(4-tert-butyl-2-pyridinyl)phenotellurazine.

Molecular Properties

• Compound Name: 2-[3-[3-(3-tert-butyl-5-phenylphenyl)-2H-imidazo[4,5-b]pyridin-1-yl]phenoxy]-10-(4-tert-butyl-2-pyridinyl)phenotellurazine
• PubChem CID: 168840596
• Molecular Formula: C49H45N5OTe
• Molecular Weight: 847.53 g/mol
• Exact Mass: 849.27
• IUPAC Name: 2-[3-[3-(3-tert-butyl-5-phenylphenyl)-2H-imidazo[4,5-b]pyridin-1-yl]phenoxy]-10-(4-tert-butyl-2-pyridinyl)phenotellurazine
• SMILES: CC(C)(C)c1cc(-c2ccccc2)cc(N2CN(c3cccc(Oc4ccc5c(c4)N(c4cc(C(C)(C)C)ccn4)c4ccccc4[Te]5)c3)c3cccnc32)c1
• InChI: InChI=1S/C49H45N5OTe/c1-48(2,3)35-23-25-50-46(29-35)54-41-18-10-11-20-44(41)56-45-22-21-40(31-43(45)54)55-39-17-12-16-37(30-39)52-32-53(47-42(52)19-13-24-51-47)38-27-34(33-14-8-7-9-15-33)26-36(28-38)49(4,5)6/h7-31H,32H2,1-6H3
• InChIKey: SFKTWFFHRAVDKC-UHFFFAOYSA-N
• XLogP: 11.22
• TPSA: 44.73 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	847.53
LogP ≤ 5	11.22
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 2-[3-[3-(3-tert-butyl-5-phenylphenyl)-2H-imidazo[4,5-b]pyridin-1-yl]phenoxy]-10-(4-tert-butyl-2-pyridinyl)phenotellurazine?

The IUPAC name of 2-[3-[3-(3-tert-butyl-5-phenylphenyl)-2H-imidazo[4,5-b]pyridin-1-yl]phenoxy]-10-(4-tert-butyl-2-pyridinyl)phenotellurazine (CID 168840596) is 2-[3-[3-(3-tert-butyl-5-phenylphenyl)-2H-imidazo[4,5-b]pyridin-1-yl]phenoxy]-10-(4-tert-butyl-2-pyridinyl)phenotellurazine.

What is the SMILES notation for 2-[3-[3-(3-tert-butyl-5-phenylphenyl)-2H-imidazo[4,5-b]pyridin-1-yl]phenoxy]-10-(4-tert-butyl-2-pyridinyl)phenotellurazine?

The canonical SMILES for 2-[3-[3-(3-tert-butyl-5-phenylphenyl)-2H-imidazo[4,5-b]pyridin-1-yl]phenoxy]-10-(4-tert-butyl-2-pyridinyl)phenotellurazine is CC(C)(C)c1cc(-c2ccccc2)cc(N2CN(c3cccc(Oc4ccc5c(c4)N(c4cc(C(C)(C)C)ccn4)c4ccccc4[Te]5)c3)c3cccnc32)c1.

What is the InChIKey of 2-[3-[3-(3-tert-butyl-5-phenylphenyl)-2H-imidazo[4,5-b]pyridin-1-yl]phenoxy]-10-(4-tert-butyl-2-pyridinyl)phenotellurazine?

The InChIKey is SFKTWFFHRAVDKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H45N5OTe/c1-48(2,3)35-23-25-50-46(29-35)54-41-18-10-11-20-44(41)56-45-22-21-40(31-43(45)54)55-39-17-12-16-37(30-39)52-32-53(47-42(52)19-13-24-51-47)38-27-34(33-14-8-7-9-15-33)26-36(28-38)49(4,5)6/h7-31H,32H2,1-6H3.

What are the key properties of 2-[3-[3-(3-tert-butyl-5-phenylphenyl)-2H-imidazo[4,5-b]pyridin-1-yl]phenoxy]-10-(4-tert-butyl-2-pyridinyl)phenotellurazine?

2-[3-[3-(3-tert-butyl-5-phenylphenyl)-2H-imidazo[4,5-b]pyridin-1-yl]phenoxy]-10-(4-tert-butyl-2-pyridinyl)phenotellurazine has a molecular weight of 847.53 g/mol, XLogP of 11.22, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-(3-tert-butyl-5-phenylphenyl)-2H-imidazo[4,5-b]pyridin-1-yl]phenoxy]-10-(4-tert-butyl-2-pyridinyl)phenotellurazine is sourced from PubChem (CID 168840596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).