1-methyl-2-[3-[5-(1-methylbenzimidazol-2-yl)-2-phenylbenzene-6-id-1-yl]oxy-4-phenylbenzene-2-id-1-yl]benzimidazole;platinum(2+)

C40H28N4OPt — CID 153428767

About 1-methyl-2-[3-[5-(1-methylbenzimidazol-2-yl)-2-phenylbenzene-6-id-1-yl]oxy-4-phenylbenzene-2-id-1-yl]benzimidazole;platinum(2+)

1-methyl-2-[3-[5-(1-methylbenzimidazol-2-yl)-2-phenylbenzene-6-id-1-yl]oxy-4-phenylbenzene-2-id-1-yl]benzimidazole;platinum(2+) (PubChem CID 153428767) has the molecular formula C40H28N4OPt and a molecular weight of 775.77 g/mol. Its IUPAC name is 1-methyl-2-[3-[5-(1-methylbenzimidazol-2-yl)-2-phenylbenzene-6-id-1-yl]oxy-4-phenylbenzene-2-id-1-yl]benzimidazole;platinum(2+).

Molecular Properties

• Compound Name: 1-methyl-2-[3-[5-(1-methylbenzimidazol-2-yl)-2-phenylbenzene-6-id-1-yl]oxy-4-phenylbenzene-2-id-1-yl]benzimidazole;platinum(2+)
• PubChem CID: 153428767
• Molecular Formula: C40H28N4OPt
• Molecular Weight: 775.77 g/mol
• Exact Mass: 775.19
• IUPAC Name: 1-methyl-2-[3-[5-(1-methylbenzimidazol-2-yl)-2-phenylbenzene-6-id-1-yl]oxy-4-phenylbenzene-2-id-1-yl]benzimidazole;platinum(2+)
• SMILES: Cn1c(-c2[c-]c(Oc3[c-]c(-c4nc5ccccc5n4C)ccc3-c3ccccc3)c(-c3ccccc3)cc2)nc2ccccc21.[Pt+2]
• InChI: InChI=1S/C40H28N4O.Pt/c1-43-35-19-11-9-17-33(35)41-39(43)29-21-23-31(27-13-5-3-6-14-27)37(25-29)45-38-26-30(22-24-32(38)28-15-7-4-8-16-28)40-42-34-18-10-12-20-36(34)44(40)2;/h3-24H,1-2H3;/q-2;+2
• InChIKey: PUQGMZTUSYCWGD-UHFFFAOYSA-N
• XLogP: 9.52
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	775.77
LogP ≤ 5	9.52
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 1-methyl-2-[3-[5-(1-methylbenzimidazol-2-yl)-2-phenylbenzene-6-id-1-yl]oxy-4-phenylbenzene-2-id-1-yl]benzimidazole;platinum(2+)?

The IUPAC name of 1-methyl-2-[3-[5-(1-methylbenzimidazol-2-yl)-2-phenylbenzene-6-id-1-yl]oxy-4-phenylbenzene-2-id-1-yl]benzimidazole;platinum(2+) (CID 153428767) is 1-methyl-2-[3-[5-(1-methylbenzimidazol-2-yl)-2-phenylbenzene-6-id-1-yl]oxy-4-phenylbenzene-2-id-1-yl]benzimidazole;platinum(2+).

What is the SMILES notation for 1-methyl-2-[3-[5-(1-methylbenzimidazol-2-yl)-2-phenylbenzene-6-id-1-yl]oxy-4-phenylbenzene-2-id-1-yl]benzimidazole;platinum(2+)?

The canonical SMILES for 1-methyl-2-[3-[5-(1-methylbenzimidazol-2-yl)-2-phenylbenzene-6-id-1-yl]oxy-4-phenylbenzene-2-id-1-yl]benzimidazole;platinum(2+) is Cn1c(-c2[c-]c(Oc3[c-]c(-c4nc5ccccc5n4C)ccc3-c3ccccc3)c(-c3ccccc3)cc2)nc2ccccc21.[Pt+2].

What is the InChIKey of 1-methyl-2-[3-[5-(1-methylbenzimidazol-2-yl)-2-phenylbenzene-6-id-1-yl]oxy-4-phenylbenzene-2-id-1-yl]benzimidazole;platinum(2+)?

The InChIKey is PUQGMZTUSYCWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H28N4O.Pt/c1-43-35-19-11-9-17-33(35)41-39(43)29-21-23-31(27-13-5-3-6-14-27)37(25-29)45-38-26-30(22-24-32(38)28-15-7-4-8-16-28)40-42-34-18-10-12-20-36(34)44(40)2;/h3-24H,1-2H3;/q-2;+2.

What are the key properties of 1-methyl-2-[3-[5-(1-methylbenzimidazol-2-yl)-2-phenylbenzene-6-id-1-yl]oxy-4-phenylbenzene-2-id-1-yl]benzimidazole;platinum(2+)?

1-methyl-2-[3-[5-(1-methylbenzimidazol-2-yl)-2-phenylbenzene-6-id-1-yl]oxy-4-phenylbenzene-2-id-1-yl]benzimidazole;platinum(2+) has a molecular weight of 775.77 g/mol, XLogP of 9.52, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-2-[3-[5-(1-methylbenzimidazol-2-yl)-2-phenylbenzene-6-id-1-yl]oxy-4-phenylbenzene-2-id-1-yl]benzimidazole;platinum(2+) is sourced from PubChem (CID 153428767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).