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

C65H57N3OPt — CID 167355444

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

1-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]-2-(2-methanidyloxy-3,5-dimethylphenyl)-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazole;platinum(2+) (PubChem CID 167355444) has the molecular formula C65H57N3OPt and a molecular weight of 1091.27 g/mol. Its IUPAC name is 1-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]-2-(2-methanidyloxy-3,5-dimethylphenyl)-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazole;platinum(2+).

Molecular Properties

• Compound Name: 1-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]-2-(2-methanidyloxy-3,5-dimethylphenyl)-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazole;platinum(2+)
• PubChem CID: 167355444
• Molecular Formula: C65H57N3OPt
• Molecular Weight: 1091.27 g/mol
• Exact Mass: 1090.41
• IUPAC Name: 1-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]-2-(2-methanidyloxy-3,5-dimethylphenyl)-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazole;platinum(2+)
• SMILES: [CH2-]Oc1c(C)cc(C)cc1-c1nc2c(-c3[c-]c(-c4cc(-c5ccc(-c6ccccc6)cc5)ccn4)cc(-c4ccccc4)c3)cccc2n1-c1cc(C(C)(C)C)ccc1-c1ccc(C(C)(C)C)cc1.[Pt+2]
• InChI: InChI=1S/C65H57N3O.Pt/c1-42-35-43(2)62(69-9)57(36-42)63-67-61-56(21-16-22-59(61)68(63)60-41-54(65(6,7)8)31-32-55(60)48-27-29-53(30-28-48)64(3,4)5)51-37-50(45-19-14-11-15-20-45)38-52(39-51)58-40-49(33-34-66-58)47-25-23-46(24-26-47)44-17-12-10-13-18-44;/h10-38,40-41H,9H2,1-8H3;/q-2;+2
• InChIKey: LDIHVQFNPZMCHL-UHFFFAOYSA-N
• XLogP: 17.27
• TPSA: 39.94 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1091.27
LogP ≤ 5	17.27
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 1-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]-2-(2-methanidyloxy-3,5-dimethylphenyl)-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazole;platinum(2+)?

The IUPAC name of 1-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]-2-(2-methanidyloxy-3,5-dimethylphenyl)-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazole;platinum(2+) (CID 167355444) is 1-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]-2-(2-methanidyloxy-3,5-dimethylphenyl)-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazole;platinum(2+).

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

The canonical SMILES for 1-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]-2-(2-methanidyloxy-3,5-dimethylphenyl)-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazole;platinum(2+) is [CH2-]Oc1c(C)cc(C)cc1-c1nc2c(-c3[c-]c(-c4cc(-c5ccc(-c6ccccc6)cc5)ccn4)cc(-c4ccccc4)c3)cccc2n1-c1cc(C(C)(C)C)ccc1-c1ccc(C(C)(C)C)cc1.[Pt+2].

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

The InChIKey is LDIHVQFNPZMCHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H57N3O.Pt/c1-42-35-43(2)62(69-9)57(36-42)63-67-61-56(21-16-22-59(61)68(63)60-41-54(65(6,7)8)31-32-55(60)48-27-29-53(30-28-48)64(3,4)5)51-37-50(45-19-14-11-15-20-45)38-52(39-51)58-40-49(33-34-66-58)47-25-23-46(24-26-47)44-17-12-10-13-18-44;/h10-38,40-41H,9H2,1-8H3;/q-2;+2.

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

1-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]-2-(2-methanidyloxy-3,5-dimethylphenyl)-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazole;platinum(2+) has a molecular weight of 1091.27 g/mol, XLogP of 17.27, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]-2-(2-methanidyloxy-3,5-dimethylphenyl)-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazole;platinum(2+) is sourced from PubChem (CID 167355444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).