4-tert-butyl-2-[2-[3-[4,5-dimethyl-3-(trideuteriomethyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-3H-1-benzothiophen-3-id-4-yl]pyridine;platinum

C29H28N3OPtS-3 — CID 177293103

About 4-tert-butyl-2-[2-[3-[4,5-dimethyl-3-(trideuteriomethyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-3H-1-benzothiophen-3-id-4-yl]pyridine;platinum

4-tert-butyl-2-[2-[3-[4,5-dimethyl-3-(trideuteriomethyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-3H-1-benzothiophen-3-id-4-yl]pyridine;platinum (PubChem CID 177293103) has the molecular formula C29H28N3OPtS-3 and a molecular weight of 664.73 g/mol. Its IUPAC name is 4-tert-butyl-2-[2-[3-[4,5-dimethyl-3-(trideuteriomethyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-3H-1-benzothiophen-3-id-4-yl]pyridine;platinum.

Molecular Properties

• Compound Name: 4-tert-butyl-2-[2-[3-[4,5-dimethyl-3-(trideuteriomethyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-3H-1-benzothiophen-3-id-4-yl]pyridine;platinum
• PubChem CID: 177293103
• Molecular Formula: C29H28N3OPtS-3
• Molecular Weight: 664.73 g/mol
• Exact Mass: 664.18
• IUPAC Name: 4-tert-butyl-2-[2-[3-[4,5-dimethyl-3-(trideuteriomethyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-3H-1-benzothiophen-3-id-4-yl]pyridine;platinum
• SMILES: [2H]C([2H])([2H])N1[CH-]N(c2[c-]c(Oc3[c-]c4c(-c5cc(C(C)(C)C)ccn5)cccc4s3)ccc2)C(C)=C1C.[Pt]
• InChI: InChI=1S/C29H28N3OS.Pt/c1-19-20(2)32(18-31(19)6)22-9-7-10-23(16-22)33-28-17-25-24(11-8-12-27(25)34-28)26-15-21(13-14-30-26)29(3,4)5;/h7-15,18H,1-6H3;/q-3;/i6D3
• InChIKey: FXWGRONINKXKHL-AZZWRUEWSA-N
• XLogP: 7.77
• TPSA: 28.60 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	664.73
LogP ≤ 5	7.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[2-[3-[4,5-dimethyl-3-(trideuteriomethyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-3H-1-benzothiophen-3-id-4-yl]pyridine;platinum?

The IUPAC name of 4-tert-butyl-2-[2-[3-[4,5-dimethyl-3-(trideuteriomethyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-3H-1-benzothiophen-3-id-4-yl]pyridine;platinum (CID 177293103) is 4-tert-butyl-2-[2-[3-[4,5-dimethyl-3-(trideuteriomethyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-3H-1-benzothiophen-3-id-4-yl]pyridine;platinum.

What is the SMILES notation for 4-tert-butyl-2-[2-[3-[4,5-dimethyl-3-(trideuteriomethyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-3H-1-benzothiophen-3-id-4-yl]pyridine;platinum?

The canonical SMILES for 4-tert-butyl-2-[2-[3-[4,5-dimethyl-3-(trideuteriomethyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-3H-1-benzothiophen-3-id-4-yl]pyridine;platinum is [2H]C([2H])([2H])N1[CH-]N(c2[c-]c(Oc3[c-]c4c(-c5cc(C(C)(C)C)ccn5)cccc4s3)ccc2)C(C)=C1C.[Pt].

What is the InChIKey of 4-tert-butyl-2-[2-[3-[4,5-dimethyl-3-(trideuteriomethyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-3H-1-benzothiophen-3-id-4-yl]pyridine;platinum?

The InChIKey is FXWGRONINKXKHL-AZZWRUEWSA-N. The full InChI is InChI=1S/C29H28N3OS.Pt/c1-19-20(2)32(18-31(19)6)22-9-7-10-23(16-22)33-28-17-25-24(11-8-12-27(25)34-28)26-15-21(13-14-30-26)29(3,4)5;/h7-15,18H,1-6H3;/q-3;/i6D3;.

What are the key properties of 4-tert-butyl-2-[2-[3-[4,5-dimethyl-3-(trideuteriomethyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-3H-1-benzothiophen-3-id-4-yl]pyridine;platinum?

4-tert-butyl-2-[2-[3-[4,5-dimethyl-3-(trideuteriomethyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-3H-1-benzothiophen-3-id-4-yl]pyridine;platinum has a molecular weight of 664.73 g/mol, XLogP of 7.77, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-2-[2-[3-[4,5-dimethyl-3-(trideuteriomethyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-3H-1-benzothiophen-3-id-4-yl]pyridine;platinum is sourced from PubChem (CID 177293103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).