4-[3-tert-butyl-5-[4-(4-methylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-(3-tert-butyl-5-phenylphenyl)-2-(2-methanidyloxy-3,5-dimethylphenyl)benzimidazole;platinum(2+)

C54H51N3OPt — CID 167355375

About 4-[3-tert-butyl-5-[4-(4-methylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-(3-tert-butyl-5-phenylphenyl)-2-(2-methanidyloxy-3,5-dimethylphenyl)benzimidazole;platinum(2+)

4-[3-tert-butyl-5-[4-(4-methylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-(3-tert-butyl-5-phenylphenyl)-2-(2-methanidyloxy-3,5-dimethylphenyl)benzimidazole;platinum(2+) (PubChem CID 167355375) has the molecular formula C54H51N3OPt and a molecular weight of 953.10 g/mol. Its IUPAC name is 4-[3-tert-butyl-5-[4-(4-methylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-(3-tert-butyl-5-phenylphenyl)-2-(2-methanidyloxy-3,5-dimethylphenyl)benzimidazole;platinum(2+).

Molecular Properties

• Compound Name: 4-[3-tert-butyl-5-[4-(4-methylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-(3-tert-butyl-5-phenylphenyl)-2-(2-methanidyloxy-3,5-dimethylphenyl)benzimidazole;platinum(2+)
• PubChem CID: 167355375
• Molecular Formula: C54H51N3OPt
• Molecular Weight: 953.10 g/mol
• Exact Mass: 952.37
• IUPAC Name: 4-[3-tert-butyl-5-[4-(4-methylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-(3-tert-butyl-5-phenylphenyl)-2-(2-methanidyloxy-3,5-dimethylphenyl)benzimidazole;platinum(2+)
• SMILES: [CH2-]Oc1c(C)cc(C)cc1-c1nc2c(-c3[c-]c(-c4cc(-c5ccc(C)cc5)ccn4)cc(C(C)(C)C)c3)cccc2n1-c1cc(-c2ccccc2)cc(C(C)(C)C)c1.[Pt+2]
• InChI: InChI=1S/C54H51N3O.Pt/c1-34-19-21-38(22-20-34)39-23-24-55-48(32-39)42-27-41(29-43(30-42)53(4,5)6)46-17-14-18-49-50(46)56-52(47-26-35(2)25-36(3)51(47)58-10)57(49)45-31-40(37-15-12-11-13-16-37)28-44(33-45)54(7,8)9;/h11-26,28-33H,10H2,1-9H3;/q-2;+2
• InChIKey: KQUXKJYRFZWSRW-UHFFFAOYSA-N
• XLogP: 14.24
• TPSA: 39.94 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	953.10
LogP ≤ 5	14.24
H-Bond Donors ≤ 5	0
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-[3-tert-butyl-5-[4-(4-methylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-(3-tert-butyl-5-phenylphenyl)-2-(2-methanidyloxy-3,5-dimethylphenyl)benzimidazole;platinum(2+)?

The IUPAC name of 4-[3-tert-butyl-5-[4-(4-methylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-(3-tert-butyl-5-phenylphenyl)-2-(2-methanidyloxy-3,5-dimethylphenyl)benzimidazole;platinum(2+) (CID 167355375) is 4-[3-tert-butyl-5-[4-(4-methylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-(3-tert-butyl-5-phenylphenyl)-2-(2-methanidyloxy-3,5-dimethylphenyl)benzimidazole;platinum(2+).

What is the SMILES notation for 4-[3-tert-butyl-5-[4-(4-methylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-(3-tert-butyl-5-phenylphenyl)-2-(2-methanidyloxy-3,5-dimethylphenyl)benzimidazole;platinum(2+)?

The canonical SMILES for 4-[3-tert-butyl-5-[4-(4-methylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-(3-tert-butyl-5-phenylphenyl)-2-(2-methanidyloxy-3,5-dimethylphenyl)benzimidazole;platinum(2+) is [CH2-]Oc1c(C)cc(C)cc1-c1nc2c(-c3[c-]c(-c4cc(-c5ccc(C)cc5)ccn4)cc(C(C)(C)C)c3)cccc2n1-c1cc(-c2ccccc2)cc(C(C)(C)C)c1.[Pt+2].

What is the InChIKey of 4-[3-tert-butyl-5-[4-(4-methylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-(3-tert-butyl-5-phenylphenyl)-2-(2-methanidyloxy-3,5-dimethylphenyl)benzimidazole;platinum(2+)?

The InChIKey is KQUXKJYRFZWSRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H51N3O.Pt/c1-34-19-21-38(22-20-34)39-23-24-55-48(32-39)42-27-41(29-43(30-42)53(4,5)6)46-17-14-18-49-50(46)56-52(47-26-35(2)25-36(3)51(47)58-10)57(49)45-31-40(37-15-12-11-13-16-37)28-44(33-45)54(7,8)9;/h11-26,28-33H,10H2,1-9H3;/q-2;+2.

What are the key properties of 4-[3-tert-butyl-5-[4-(4-methylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-(3-tert-butyl-5-phenylphenyl)-2-(2-methanidyloxy-3,5-dimethylphenyl)benzimidazole;platinum(2+)?

4-[3-tert-butyl-5-[4-(4-methylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-(3-tert-butyl-5-phenylphenyl)-2-(2-methanidyloxy-3,5-dimethylphenyl)benzimidazole;platinum(2+) has a molecular weight of 953.10 g/mol, XLogP of 14.24, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-tert-butyl-5-[4-(4-methylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-(3-tert-butyl-5-phenylphenyl)-2-(2-methanidyloxy-3,5-dimethylphenyl)benzimidazole;platinum(2+) is sourced from PubChem (CID 167355375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).