1-(2,6-dimethylphenyl)benzimidazole;4-(phenoxy)-6-phenylbenzimidazolo[1,2-a]benzimidazole;platinum(2+)

C40H29N5OPt — CID 164736637

About 1-(2,6-dimethylphenyl)benzimidazole;4-(phenoxy)-6-phenylbenzimidazolo[1,2-a]benzimidazole;platinum(2+)

1-(2,6-dimethylphenyl)benzimidazole;4-(phenoxy)-6-phenylbenzimidazolo[1,2-a]benzimidazole;platinum(2+) (PubChem CID 164736637) has the molecular formula C40H29N5OPt and a molecular weight of 790.78 g/mol. Its IUPAC name is 1-(2,6-dimethylphenyl)benzimidazole;4-(phenoxy)-6-phenylbenzimidazolo[1,2-a]benzimidazole;platinum(2+).

Molecular Properties

• Compound Name: 1-(2,6-dimethylphenyl)benzimidazole;4-(phenoxy)-6-phenylbenzimidazolo[1,2-a]benzimidazole;platinum(2+)
• PubChem CID: 164736637
• Molecular Formula: C40H29N5OPt
• Molecular Weight: 790.78 g/mol
• Exact Mass: 790.20
• IUPAC Name: 1-(2,6-dimethylphenyl)benzimidazole;4-(phenoxy)-6-phenylbenzimidazolo[1,2-a]benzimidazole;platinum(2+)
• SMILES: Cc1cccc(C)c1-n1cnc2ccccc21.[Pt+2].[c-]1ccccc1Oc1cccc2c1nc1n(-c3[c-]cccc3)c3ccccc3n21
• InChI: InChI=1S/C25H15N3O.C15H14N2.Pt/c1-3-10-18(11-4-1)27-20-14-7-8-15-21(20)28-22-16-9-17-23(24(22)26-25(27)28)29-19-12-5-2-6-13-19;1-11-6-5-7-12(2)15(11)17-10-16-13-8-3-4-9-14(13)17;/h1-10,12,14-17H;3-10H,1-2H3;/q-2;;+2
• InChIKey: XDYGRUFLNPWMEP-UHFFFAOYSA-N
• XLogP: 9.46
• TPSA: 49.28 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	790.78
LogP ≤ 5	9.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylphenyl)benzimidazole;4-(phenoxy)-6-phenylbenzimidazolo[1,2-a]benzimidazole;platinum(2+)?

The IUPAC name of 1-(2,6-dimethylphenyl)benzimidazole;4-(phenoxy)-6-phenylbenzimidazolo[1,2-a]benzimidazole;platinum(2+) (CID 164736637) is 1-(2,6-dimethylphenyl)benzimidazole;4-(phenoxy)-6-phenylbenzimidazolo[1,2-a]benzimidazole;platinum(2+).

What is the SMILES notation for 1-(2,6-dimethylphenyl)benzimidazole;4-(phenoxy)-6-phenylbenzimidazolo[1,2-a]benzimidazole;platinum(2+)?

The canonical SMILES for 1-(2,6-dimethylphenyl)benzimidazole;4-(phenoxy)-6-phenylbenzimidazolo[1,2-a]benzimidazole;platinum(2+) is Cc1cccc(C)c1-n1cnc2ccccc21.[Pt+2].[c-]1ccccc1Oc1cccc2c1nc1n(-c3[c-]cccc3)c3ccccc3n21.

What is the InChIKey of 1-(2,6-dimethylphenyl)benzimidazole;4-(phenoxy)-6-phenylbenzimidazolo[1,2-a]benzimidazole;platinum(2+)?

The InChIKey is XDYGRUFLNPWMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15N3O.C15H14N2.Pt/c1-3-10-18(11-4-1)27-20-14-7-8-15-21(20)28-22-16-9-17-23(24(22)26-25(27)28)29-19-12-5-2-6-13-19;1-11-6-5-7-12(2)15(11)17-10-16-13-8-3-4-9-14(13)17;/h1-10,12,14-17H;3-10H,1-2H3;/q-2;;+2.

What are the key properties of 1-(2,6-dimethylphenyl)benzimidazole;4-(phenoxy)-6-phenylbenzimidazolo[1,2-a]benzimidazole;platinum(2+)?

1-(2,6-dimethylphenyl)benzimidazole;4-(phenoxy)-6-phenylbenzimidazolo[1,2-a]benzimidazole;platinum(2+) has a molecular weight of 790.78 g/mol, XLogP of 9.46, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,6-dimethylphenyl)benzimidazole;4-(phenoxy)-6-phenylbenzimidazolo[1,2-a]benzimidazole;platinum(2+) is sourced from PubChem (CID 164736637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).