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

C61H65N3OPt — CID 167355927

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

1-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]-4-[3-tert-butyl-5-[4-(4-tert-butylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-2-(2-methanidyloxy-3,5-dimethylphenyl)benzimidazole;platinum(2+) (PubChem CID 167355927) has the molecular formula C61H65N3OPt and a molecular weight of 1051.29 g/mol. Its IUPAC name is 1-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]-4-[3-tert-butyl-5-[4-(4-tert-butylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-2-(2-methanidyloxy-3,5-dimethylphenyl)benzimidazole;platinum(2+).

Molecular Properties

• Compound Name: 1-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]-4-[3-tert-butyl-5-[4-(4-tert-butylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-2-(2-methanidyloxy-3,5-dimethylphenyl)benzimidazole;platinum(2+)
• PubChem CID: 167355927
• Molecular Formula: C61H65N3OPt
• Molecular Weight: 1051.29 g/mol
• Exact Mass: 1050.48
• IUPAC Name: 1-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]-4-[3-tert-butyl-5-[4-(4-tert-butylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-2-(2-methanidyloxy-3,5-dimethylphenyl)benzimidazole;platinum(2+)
• SMILES: [CH2-]Oc1c(C)cc(C)cc1-c1nc2c(-c3[c-]c(-c4cc(-c5ccc(C(C)(C)C)cc5)ccn4)cc(C(C)(C)C)c3)cccc2n1-c1cc(C(C)(C)C)ccc1-c1ccc(C(C)(C)C)cc1.[Pt+2]
• InChI: InChI=1S/C61H65N3O.Pt/c1-38-31-39(2)56(65-15)51(32-38)57-63-55-50(17-16-18-53(55)64(57)54-37-47(60(9,10)11)27-28-49(54)41-21-25-46(26-22-41)59(6,7)8)43-33-44(35-48(34-43)61(12,13)14)52-36-42(29-30-62-52)40-19-23-45(24-20-40)58(3,4)5;/h16-32,34-37H,15H2,1-14H3;/q-2;+2
• InChIKey: ZZVXBVNZTZKITD-UHFFFAOYSA-N
• XLogP: 16.53
• TPSA: 39.94 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1051.29
LogP ≤ 5	16.53
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]-4-[3-tert-butyl-5-[4-(4-tert-butylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-2-(2-methanidyloxy-3,5-dimethylphenyl)benzimidazole;platinum(2+)?

The IUPAC name of 1-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]-4-[3-tert-butyl-5-[4-(4-tert-butylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-2-(2-methanidyloxy-3,5-dimethylphenyl)benzimidazole;platinum(2+) (CID 167355927) is 1-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]-4-[3-tert-butyl-5-[4-(4-tert-butylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-2-(2-methanidyloxy-3,5-dimethylphenyl)benzimidazole;platinum(2+).

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

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

The InChIKey is ZZVXBVNZTZKITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H65N3O.Pt/c1-38-31-39(2)56(65-15)51(32-38)57-63-55-50(17-16-18-53(55)64(57)54-37-47(60(9,10)11)27-28-49(54)41-21-25-46(26-22-41)59(6,7)8)43-33-44(35-48(34-43)61(12,13)14)52-36-42(29-30-62-52)40-19-23-45(24-20-40)58(3,4)5;/h16-32,34-37H,15H2,1-14H3;/q-2;+2.

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

1-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]-4-[3-tert-butyl-5-[4-(4-tert-butylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-2-(2-methanidyloxy-3,5-dimethylphenyl)benzimidazole;platinum(2+) has a molecular weight of 1051.29 g/mol, XLogP of 16.53, 7 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]-4-[3-tert-butyl-5-[4-(4-tert-butylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-2-(2-methanidyloxy-3,5-dimethylphenyl)benzimidazole;platinum(2+) is sourced from PubChem (CID 167355927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).