10-(4-tert-butyl-2-pyridinyl)-2-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-phenotellurazin-1-ide;platinum

C31H27N4OPtTe-3 — CID 168840657

About 10-(4-tert-butyl-2-pyridinyl)-2-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-phenotellurazin-1-ide;platinum

10-(4-tert-butyl-2-pyridinyl)-2-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-phenotellurazin-1-ide;platinum (PubChem CID 168840657) has the molecular formula C31H27N4OPtTe-3 and a molecular weight of 794.26 g/mol. Its IUPAC name is 10-(4-tert-butyl-2-pyridinyl)-2-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-phenotellurazin-1-ide;platinum.

Molecular Properties

• Compound Name: 10-(4-tert-butyl-2-pyridinyl)-2-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-phenotellurazin-1-ide;platinum
• PubChem CID: 168840657
• Molecular Formula: C31H27N4OPtTe-3
• Molecular Weight: 794.26 g/mol
• Exact Mass: 796.09
• IUPAC Name: 10-(4-tert-butyl-2-pyridinyl)-2-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-phenotellurazin-1-ide;platinum
• SMILES: CN1C=CN(c2[c-]c(Oc3[c-]c4c(cc3)[Te]c3ccccc3N4c3cc(C(C)(C)C)ccn3)ccc2)[CH-]1.[Pt]
• InChI: InChI=1S/C31H27N4OTe.Pt/c1-31(2,3)22-14-15-32-30(18-22)35-26-10-5-6-11-28(26)37-29-13-12-25(20-27(29)35)36-24-9-7-8-23(19-24)34-17-16-33(4)21-34;/h5-18,21H,1-4H3;/q-3
• InChIKey: NEWCJFRDZMZYJU-UHFFFAOYSA-N
• XLogP: 5.55
• TPSA: 31.84 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	794.26
LogP ≤ 5	5.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 10-(4-tert-butyl-2-pyridinyl)-2-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-phenotellurazin-1-ide;platinum?

The IUPAC name of 10-(4-tert-butyl-2-pyridinyl)-2-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-phenotellurazin-1-ide;platinum (CID 168840657) is 10-(4-tert-butyl-2-pyridinyl)-2-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-phenotellurazin-1-ide;platinum.

What is the SMILES notation for 10-(4-tert-butyl-2-pyridinyl)-2-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-phenotellurazin-1-ide;platinum?

The canonical SMILES for 10-(4-tert-butyl-2-pyridinyl)-2-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-phenotellurazin-1-ide;platinum is CN1C=CN(c2[c-]c(Oc3[c-]c4c(cc3)[Te]c3ccccc3N4c3cc(C(C)(C)C)ccn3)ccc2)[CH-]1.[Pt].

What is the InChIKey of 10-(4-tert-butyl-2-pyridinyl)-2-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-phenotellurazin-1-ide;platinum?

The InChIKey is NEWCJFRDZMZYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27N4OTe.Pt/c1-31(2,3)22-14-15-32-30(18-22)35-26-10-5-6-11-28(26)37-29-13-12-25(20-27(29)35)36-24-9-7-8-23(19-24)34-17-16-33(4)21-34;/h5-18,21H,1-4H3;/q-3;.

What are the key properties of 10-(4-tert-butyl-2-pyridinyl)-2-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-phenotellurazin-1-ide;platinum?

10-(4-tert-butyl-2-pyridinyl)-2-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-phenotellurazin-1-ide;platinum has a molecular weight of 794.26 g/mol, XLogP of 5.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 10-(4-tert-butyl-2-pyridinyl)-2-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-phenotellurazin-1-ide;platinum is sourced from PubChem (CID 168840657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).