4-(4-tert-butyl-1-methylnaphthalen-2-yl)-5-methyl-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-[1,3]tellurazolo[4,5-c]pyridin-5-ium

C33H34F3N2Te+ — CID 164733424

About 4-(4-tert-butyl-1-methylnaphthalen-2-yl)-5-methyl-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-[1,3]tellurazolo[4,5-c]pyridin-5-ium

4-(4-tert-butyl-1-methylnaphthalen-2-yl)-5-methyl-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-[1,3]tellurazolo[4,5-c]pyridin-5-ium (PubChem CID 164733424) has the molecular formula C33H34F3N2Te+ and a molecular weight of 643.24 g/mol. Its IUPAC name is 4-(4-tert-butyl-1-methylnaphthalen-2-yl)-5-methyl-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-[1,3]tellurazolo[4,5-c]pyridin-5-ium.

Molecular Properties

• Compound Name: 4-(4-tert-butyl-1-methylnaphthalen-2-yl)-5-methyl-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-[1,3]tellurazolo[4,5-c]pyridin-5-ium
• PubChem CID: 164733424
• Molecular Formula: C33H34F3N2Te+
• Molecular Weight: 643.24 g/mol
• Exact Mass: 645.17
• IUPAC Name: 4-(4-tert-butyl-1-methylnaphthalen-2-yl)-5-methyl-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-[1,3]tellurazolo[4,5-c]pyridin-5-ium
• SMILES: Cc1c(-c2c3nc(-c4ccc(CC(C)(C)C(F)(F)F)cc4)[te]c3cc[n+]2C)cc(C(C)(C)C)c2ccccc12
• InChI: InChI=1S/C33H34F3N2Te/c1-20-23-10-8-9-11-24(23)26(31(2,3)4)18-25(20)29-28-27(16-17-38(29)7)39-30(37-28)22-14-12-21(13-15-22)19-32(5,6)33(34,35)36/h8-18H,19H2,1-7H3/q+1
• InChIKey: AUXFXMNMQFCAAO-UHFFFAOYSA-N
• XLogP: 8.34
• TPSA: 16.77 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 4
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	643.24
LogP ≤ 5	8.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butyl-1-methylnaphthalen-2-yl)-5-methyl-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-[1,3]tellurazolo[4,5-c]pyridin-5-ium?

The IUPAC name of 4-(4-tert-butyl-1-methylnaphthalen-2-yl)-5-methyl-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-[1,3]tellurazolo[4,5-c]pyridin-5-ium (CID 164733424) is 4-(4-tert-butyl-1-methylnaphthalen-2-yl)-5-methyl-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-[1,3]tellurazolo[4,5-c]pyridin-5-ium.

What is the SMILES notation for 4-(4-tert-butyl-1-methylnaphthalen-2-yl)-5-methyl-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-[1,3]tellurazolo[4,5-c]pyridin-5-ium?

The canonical SMILES for 4-(4-tert-butyl-1-methylnaphthalen-2-yl)-5-methyl-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-[1,3]tellurazolo[4,5-c]pyridin-5-ium is Cc1c(-c2c3nc(-c4ccc(CC(C)(C)C(F)(F)F)cc4)[te]c3cc[n+]2C)cc(C(C)(C)C)c2ccccc12.

What is the InChIKey of 4-(4-tert-butyl-1-methylnaphthalen-2-yl)-5-methyl-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-[1,3]tellurazolo[4,5-c]pyridin-5-ium?

The InChIKey is AUXFXMNMQFCAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34F3N2Te/c1-20-23-10-8-9-11-24(23)26(31(2,3)4)18-25(20)29-28-27(16-17-38(29)7)39-30(37-28)22-14-12-21(13-15-22)19-32(5,6)33(34,35)36/h8-18H,19H2,1-7H3/q+1.

What are the key properties of 4-(4-tert-butyl-1-methylnaphthalen-2-yl)-5-methyl-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-[1,3]tellurazolo[4,5-c]pyridin-5-ium?

4-(4-tert-butyl-1-methylnaphthalen-2-yl)-5-methyl-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-[1,3]tellurazolo[4,5-c]pyridin-5-ium has a molecular weight of 643.24 g/mol, XLogP of 8.34, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-tert-butyl-1-methylnaphthalen-2-yl)-5-methyl-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-[1,3]tellurazolo[4,5-c]pyridin-5-ium is sourced from PubChem (CID 164733424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).