5-(4-methyl-5-phenyl-2-pyridinyl)-7-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-6H-pyrido[2,3-b][1,4]benzoselenazin-6-ide;platinum

C37H26N5OPtSe-3 — CID 168840564

About 5-(4-methyl-5-phenyl-2-pyridinyl)-7-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-6H-pyrido[2,3-b][1,4]benzoselenazin-6-ide;platinum

5-(4-methyl-5-phenyl-2-pyridinyl)-7-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-6H-pyrido[2,3-b][1,4]benzoselenazin-6-ide;platinum (PubChem CID 168840564) has the molecular formula C37H26N5OPtSe-3 and a molecular weight of 833.71 g/mol. Its IUPAC name is 5-(4-methyl-5-phenyl-2-pyridinyl)-7-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-6H-pyrido[2,3-b][1,4]benzoselenazin-6-ide;platinum.

Molecular Properties

• Compound Name: 5-(4-methyl-5-phenyl-2-pyridinyl)-7-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-6H-pyrido[2,3-b][1,4]benzoselenazin-6-ide;platinum
• PubChem CID: 168840564
• Molecular Formula: C37H26N5OPtSe-3
• Molecular Weight: 833.71 g/mol
• Exact Mass: 834.12
• IUPAC Name: 5-(4-methyl-5-phenyl-2-pyridinyl)-7-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-6H-pyrido[2,3-b][1,4]benzoselenazin-6-ide;platinum
• SMILES: [2H]C([2H])([2H])N1[CH-]N(c2[c-]c(Oc3[c-]c4c(cc3)[Se]c3ncccc3N4c3cc(C)c(-c4ccccc4)cn3)ccc2)c2ccccc21.[Pt]
• InChI: InChI=1S/C37H26N5OSe.Pt/c1-25-20-36(39-23-30(25)26-10-4-3-5-11-26)42-33-16-9-19-38-37(33)44-35-18-17-29(22-34(35)42)43-28-13-8-12-27(21-28)41-24-40(2)31-14-6-7-15-32(31)41;/h3-20,23-24H,1-2H3;/q-3;/i2D3
• InChIKey: CSBRCFRKOPMTFS-MUTAZJQDSA-N
• XLogP: 6.99
• TPSA: 44.73 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	833.71
LogP ≤ 5	6.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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 5-(4-methyl-5-phenyl-2-pyridinyl)-7-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-6H-pyrido[2,3-b][1,4]benzoselenazin-6-ide;platinum?

The IUPAC name of 5-(4-methyl-5-phenyl-2-pyridinyl)-7-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-6H-pyrido[2,3-b][1,4]benzoselenazin-6-ide;platinum (CID 168840564) is 5-(4-methyl-5-phenyl-2-pyridinyl)-7-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-6H-pyrido[2,3-b][1,4]benzoselenazin-6-ide;platinum.

What is the SMILES notation for 5-(4-methyl-5-phenyl-2-pyridinyl)-7-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-6H-pyrido[2,3-b][1,4]benzoselenazin-6-ide;platinum?

The canonical SMILES for 5-(4-methyl-5-phenyl-2-pyridinyl)-7-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-6H-pyrido[2,3-b][1,4]benzoselenazin-6-ide;platinum is [2H]C([2H])([2H])N1[CH-]N(c2[c-]c(Oc3[c-]c4c(cc3)[Se]c3ncccc3N4c3cc(C)c(-c4ccccc4)cn3)ccc2)c2ccccc21.[Pt].

What is the InChIKey of 5-(4-methyl-5-phenyl-2-pyridinyl)-7-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-6H-pyrido[2,3-b][1,4]benzoselenazin-6-ide;platinum?

The InChIKey is CSBRCFRKOPMTFS-MUTAZJQDSA-N. The full InChI is InChI=1S/C37H26N5OSe.Pt/c1-25-20-36(39-23-30(25)26-10-4-3-5-11-26)42-33-16-9-19-38-37(33)44-35-18-17-29(22-34(35)42)43-28-13-8-12-27(21-28)41-24-40(2)31-14-6-7-15-32(31)41;/h3-20,23-24H,1-2H3;/q-3;/i2D3;.

What are the key properties of 5-(4-methyl-5-phenyl-2-pyridinyl)-7-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-6H-pyrido[2,3-b][1,4]benzoselenazin-6-ide;platinum?

5-(4-methyl-5-phenyl-2-pyridinyl)-7-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-6H-pyrido[2,3-b][1,4]benzoselenazin-6-ide;platinum has a molecular weight of 833.71 g/mol, XLogP of 6.99, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-methyl-5-phenyl-2-pyridinyl)-7-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-6H-pyrido[2,3-b][1,4]benzoselenazin-6-ide;platinum is sourced from PubChem (CID 168840564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).