5-(4-tert-butyl-2-pyridinyl)-7-methyl-3-[[2-[3-(trideuteriomethyl)-2H-benzimidazol-3-ium-2-id-1-yl]-3H-dibenzofuran-3-id-4-yl]oxy]-4H-benzimidazolo[1,2-a]benzimidazol-4-ide;platinum

C43H32N6O2Pt-2 — CID 154595060

About 5-(4-tert-butyl-2-pyridinyl)-7-methyl-3-[[2-[3-(trideuteriomethyl)-2H-benzimidazol-3-ium-2-id-1-yl]-3H-dibenzofuran-3-id-4-yl]oxy]-4H-benzimidazolo[1,2-a]benzimidazol-4-ide;platinum

5-(4-tert-butyl-2-pyridinyl)-7-methyl-3-[[2-[3-(trideuteriomethyl)-2H-benzimidazol-3-ium-2-id-1-yl]-3H-dibenzofuran-3-id-4-yl]oxy]-4H-benzimidazolo[1,2-a]benzimidazol-4-ide;platinum (PubChem CID 154595060) has the molecular formula C43H32N6O2Pt-2 and a molecular weight of 862.87 g/mol. Its IUPAC name is 5-(4-tert-butyl-2-pyridinyl)-7-methyl-3-[[2-[3-(trideuteriomethyl)-2H-benzimidazol-3-ium-2-id-1-yl]-3H-dibenzofuran-3-id-4-yl]oxy]-4H-benzimidazolo[1,2-a]benzimidazol-4-ide;platinum.

Molecular Properties

• Compound Name: 5-(4-tert-butyl-2-pyridinyl)-7-methyl-3-[[2-[3-(trideuteriomethyl)-2H-benzimidazol-3-ium-2-id-1-yl]-3H-dibenzofuran-3-id-4-yl]oxy]-4H-benzimidazolo[1,2-a]benzimidazol-4-ide;platinum
• PubChem CID: 154595060
• Molecular Formula: C43H32N6O2Pt-2
• Molecular Weight: 862.87 g/mol
• Exact Mass: 862.24
• IUPAC Name: 5-(4-tert-butyl-2-pyridinyl)-7-methyl-3-[[2-[3-(trideuteriomethyl)-2H-benzimidazol-3-ium-2-id-1-yl]-3H-dibenzofuran-3-id-4-yl]oxy]-4H-benzimidazolo[1,2-a]benzimidazol-4-ide;platinum
• SMILES: [2H]C([2H])([2H])[n+]1[c-]n(-c2[c-]c(Oc3[c-]c4c(cc3)n3c5cccc(C)c5nc3n4-c3cc(C(C)(C)C)ccn3)c3oc4ccccc4c3c2)c2ccccc21.[Pt]
• InChI: InChI=1S/C43H32N6O2.Pt/c1-26-11-10-15-35-40(26)45-42-48(35)34-18-17-29(24-36(34)49(42)39-21-27(19-20-44-39)43(2,3)4)50-38-23-28(47-25-46(5)32-13-7-8-14-33(32)47)22-31-30-12-6-9-16-37(30)51-41(31)38;/h6-22H,1-5H3;/q-2;/i5D3
• InChIKey: IPJNTDCLHOQPNH-OWKBQAHQSA-N
• XLogP: 9.29
• TPSA: 66.30 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	862.87
LogP ≤ 5	9.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butyl-2-pyridinyl)-7-methyl-3-[[2-[3-(trideuteriomethyl)-2H-benzimidazol-3-ium-2-id-1-yl]-3H-dibenzofuran-3-id-4-yl]oxy]-4H-benzimidazolo[1,2-a]benzimidazol-4-ide;platinum?

The IUPAC name of 5-(4-tert-butyl-2-pyridinyl)-7-methyl-3-[[2-[3-(trideuteriomethyl)-2H-benzimidazol-3-ium-2-id-1-yl]-3H-dibenzofuran-3-id-4-yl]oxy]-4H-benzimidazolo[1,2-a]benzimidazol-4-ide;platinum (CID 154595060) is 5-(4-tert-butyl-2-pyridinyl)-7-methyl-3-[[2-[3-(trideuteriomethyl)-2H-benzimidazol-3-ium-2-id-1-yl]-3H-dibenzofuran-3-id-4-yl]oxy]-4H-benzimidazolo[1,2-a]benzimidazol-4-ide;platinum.

What is the SMILES notation for 5-(4-tert-butyl-2-pyridinyl)-7-methyl-3-[[2-[3-(trideuteriomethyl)-2H-benzimidazol-3-ium-2-id-1-yl]-3H-dibenzofuran-3-id-4-yl]oxy]-4H-benzimidazolo[1,2-a]benzimidazol-4-ide;platinum?

The canonical SMILES for 5-(4-tert-butyl-2-pyridinyl)-7-methyl-3-[[2-[3-(trideuteriomethyl)-2H-benzimidazol-3-ium-2-id-1-yl]-3H-dibenzofuran-3-id-4-yl]oxy]-4H-benzimidazolo[1,2-a]benzimidazol-4-ide;platinum is [2H]C([2H])([2H])[n+]1[c-]n(-c2[c-]c(Oc3[c-]c4c(cc3)n3c5cccc(C)c5nc3n4-c3cc(C(C)(C)C)ccn3)c3oc4ccccc4c3c2)c2ccccc21.[Pt].

What is the InChIKey of 5-(4-tert-butyl-2-pyridinyl)-7-methyl-3-[[2-[3-(trideuteriomethyl)-2H-benzimidazol-3-ium-2-id-1-yl]-3H-dibenzofuran-3-id-4-yl]oxy]-4H-benzimidazolo[1,2-a]benzimidazol-4-ide;platinum?

The InChIKey is IPJNTDCLHOQPNH-OWKBQAHQSA-N. The full InChI is InChI=1S/C43H32N6O2.Pt/c1-26-11-10-15-35-40(26)45-42-48(35)34-18-17-29(24-36(34)49(42)39-21-27(19-20-44-39)43(2,3)4)50-38-23-28(47-25-46(5)32-13-7-8-14-33(32)47)22-31-30-12-6-9-16-37(30)51-41(31)38;/h6-22H,1-5H3;/q-2;/i5D3;.

What are the key properties of 5-(4-tert-butyl-2-pyridinyl)-7-methyl-3-[[2-[3-(trideuteriomethyl)-2H-benzimidazol-3-ium-2-id-1-yl]-3H-dibenzofuran-3-id-4-yl]oxy]-4H-benzimidazolo[1,2-a]benzimidazol-4-ide;platinum?

5-(4-tert-butyl-2-pyridinyl)-7-methyl-3-[[2-[3-(trideuteriomethyl)-2H-benzimidazol-3-ium-2-id-1-yl]-3H-dibenzofuran-3-id-4-yl]oxy]-4H-benzimidazolo[1,2-a]benzimidazol-4-ide;platinum has a molecular weight of 862.87 g/mol, XLogP of 9.29, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-tert-butyl-2-pyridinyl)-7-methyl-3-[[2-[3-(trideuteriomethyl)-2H-benzimidazol-3-ium-2-id-1-yl]-3H-dibenzofuran-3-id-4-yl]oxy]-4H-benzimidazolo[1,2-a]benzimidazol-4-ide;platinum is sourced from PubChem (CID 154595060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).