4-tert-butyl-2-[1-methyl-4-[3-[6-(trideuteriomethyl)quinolin-8-yl]benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum

C34H30N3OPt- — CID 177110679

About 4-tert-butyl-2-[1-methyl-4-[3-[6-(trideuteriomethyl)quinolin-8-yl]benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum

4-tert-butyl-2-[1-methyl-4-[3-[6-(trideuteriomethyl)quinolin-8-yl]benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum (PubChem CID 177110679) has the molecular formula C34H30N3OPt- and a molecular weight of 694.73 g/mol. Its IUPAC name is 4-tert-butyl-2-[1-methyl-4-[3-[6-(trideuteriomethyl)quinolin-8-yl]benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum.

Molecular Properties

• Compound Name: 4-tert-butyl-2-[1-methyl-4-[3-[6-(trideuteriomethyl)quinolin-8-yl]benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum
• PubChem CID: 177110679
• Molecular Formula: C34H30N3OPt-
• Molecular Weight: 694.73 g/mol
• Exact Mass: 694.22
• IUPAC Name: 4-tert-butyl-2-[1-methyl-4-[3-[6-(trideuteriomethyl)quinolin-8-yl]benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum
• SMILES: [2H]C([2H])([2H])c1cc(-c2[c-]c(-c3cccc4c3nc(-c3cc(C(C)(C)C)ccc3O)n4C)ccc2)c2ncccc2c1.[Pt]
• InChI: InChI=1S/C34H30N3O.Pt/c1-21-17-24-11-8-16-35-31(24)27(18-21)23-10-6-9-22(19-23)26-12-7-13-29-32(26)36-33(37(29)5)28-20-25(34(2,3)4)14-15-30(28)38;/h6-18,20,38H,1-5H3;/q-1;/i1D3
• InChIKey: RWAJMJOWERCLSO-NIIDSAIPSA-N
• XLogP: 8.23
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	694.73
LogP ≤ 5	8.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

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-[1-methyl-4-[3-[6-(trideuteriomethyl)quinolin-8-yl]benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum?

The IUPAC name of 4-tert-butyl-2-[1-methyl-4-[3-[6-(trideuteriomethyl)quinolin-8-yl]benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum (CID 177110679) is 4-tert-butyl-2-[1-methyl-4-[3-[6-(trideuteriomethyl)quinolin-8-yl]benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum.

What is the SMILES notation for 4-tert-butyl-2-[1-methyl-4-[3-[6-(trideuteriomethyl)quinolin-8-yl]benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum?

The canonical SMILES for 4-tert-butyl-2-[1-methyl-4-[3-[6-(trideuteriomethyl)quinolin-8-yl]benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum is [2H]C([2H])([2H])c1cc(-c2[c-]c(-c3cccc4c3nc(-c3cc(C(C)(C)C)ccc3O)n4C)ccc2)c2ncccc2c1.[Pt].

What is the InChIKey of 4-tert-butyl-2-[1-methyl-4-[3-[6-(trideuteriomethyl)quinolin-8-yl]benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum?

The InChIKey is RWAJMJOWERCLSO-NIIDSAIPSA-N. The full InChI is InChI=1S/C34H30N3O.Pt/c1-21-17-24-11-8-16-35-31(24)27(18-21)23-10-6-9-22(19-23)26-12-7-13-29-32(26)36-33(37(29)5)28-20-25(34(2,3)4)14-15-30(28)38;/h6-18,20,38H,1-5H3;/q-1;/i1D3;.

What are the key properties of 4-tert-butyl-2-[1-methyl-4-[3-[6-(trideuteriomethyl)quinolin-8-yl]benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum?

4-tert-butyl-2-[1-methyl-4-[3-[6-(trideuteriomethyl)quinolin-8-yl]benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum has a molecular weight of 694.73 g/mol, XLogP of 8.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-2-[1-methyl-4-[3-[6-(trideuteriomethyl)quinolin-8-yl]benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 177110679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).