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

C59H53N3OPt — CID 167356306

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

1-(3-tert-butyl-5-phenylphenyl)-2-(2-methanidyloxy-3,5-dimethylphenyl)-4-[3-phenyl-5-[4-[2,3,5,6-tetradeuterio-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazole;platinum(2+) (PubChem CID 167356306) has the molecular formula C59H53N3OPt and a molecular weight of 1028.25 g/mol. Its IUPAC name is 1-(3-tert-butyl-5-phenylphenyl)-2-(2-methanidyloxy-3,5-dimethylphenyl)-4-[3-phenyl-5-[4-[2,3,5,6-tetradeuterio-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazole;platinum(2+).

Molecular Properties

• Compound Name: 1-(3-tert-butyl-5-phenylphenyl)-2-(2-methanidyloxy-3,5-dimethylphenyl)-4-[3-phenyl-5-[4-[2,3,5,6-tetradeuterio-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazole;platinum(2+)
• PubChem CID: 167356306
• Molecular Formula: C59H53N3OPt
• Molecular Weight: 1028.25 g/mol
• Exact Mass: 1027.47
• IUPAC Name: 1-(3-tert-butyl-5-phenylphenyl)-2-(2-methanidyloxy-3,5-dimethylphenyl)-4-[3-phenyl-5-[4-[2,3,5,6-tetradeuterio-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazole;platinum(2+)
• SMILES: [2H]c1c([2H])c(C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])c([2H])c([2H])c1-c1ccnc(-c2[c-]c(-c3cccc4c3nc(-c3cc(C)cc(C)c3O[CH2-])n4-c3cc(-c4ccccc4)cc(C(C)(C)C)c3)cc(-c3ccccc3)c2)c1.[Pt+2]
• InChI: InChI=1S/C59H53N3O.Pt/c1-38-29-39(2)56(63-9)52(30-38)57-61-55-51(21-16-22-54(55)62(57)50-35-45(41-19-14-11-15-20-41)34-49(37-50)59(6,7)8)46-31-44(40-17-12-10-13-18-40)32-47(33-46)53-36-43(27-28-60-53)42-23-25-48(26-24-42)58(3,4)5;/h10-32,34-37H,9H2,1-8H3;/q-2;+2/i3D3,4D3,5D3,23D,24D,25D,26D
• InChIKey: PULYGFTXALIEBJ-RRXKGVSVSA-N
• XLogP: 15.60
• TPSA: 39.94 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1028.25
LogP ≤ 5	15.60
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-(3-tert-butyl-5-phenylphenyl)-2-(2-methanidyloxy-3,5-dimethylphenyl)-4-[3-phenyl-5-[4-[2,3,5,6-tetradeuterio-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazole;platinum(2+)?

The IUPAC name of 1-(3-tert-butyl-5-phenylphenyl)-2-(2-methanidyloxy-3,5-dimethylphenyl)-4-[3-phenyl-5-[4-[2,3,5,6-tetradeuterio-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazole;platinum(2+) (CID 167356306) is 1-(3-tert-butyl-5-phenylphenyl)-2-(2-methanidyloxy-3,5-dimethylphenyl)-4-[3-phenyl-5-[4-[2,3,5,6-tetradeuterio-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazole;platinum(2+).

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

The canonical SMILES for 1-(3-tert-butyl-5-phenylphenyl)-2-(2-methanidyloxy-3,5-dimethylphenyl)-4-[3-phenyl-5-[4-[2,3,5,6-tetradeuterio-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazole;platinum(2+) is [2H]c1c([2H])c(C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])c([2H])c([2H])c1-c1ccnc(-c2[c-]c(-c3cccc4c3nc(-c3cc(C)cc(C)c3O[CH2-])n4-c3cc(-c4ccccc4)cc(C(C)(C)C)c3)cc(-c3ccccc3)c2)c1.[Pt+2].

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

The InChIKey is PULYGFTXALIEBJ-RRXKGVSVSA-N. The full InChI is InChI=1S/C59H53N3O.Pt/c1-38-29-39(2)56(63-9)52(30-38)57-61-55-51(21-16-22-54(55)62(57)50-35-45(41-19-14-11-15-20-41)34-49(37-50)59(6,7)8)46-31-44(40-17-12-10-13-18-40)32-47(33-46)53-36-43(27-28-60-53)42-23-25-48(26-24-42)58(3,4)5;/h10-32,34-37H,9H2,1-8H3;/q-2;+2/i3D3,4D3,5D3,23D,24D,25D,26D;.

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

1-(3-tert-butyl-5-phenylphenyl)-2-(2-methanidyloxy-3,5-dimethylphenyl)-4-[3-phenyl-5-[4-[2,3,5,6-tetradeuterio-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazole;platinum(2+) has a molecular weight of 1028.25 g/mol, XLogP of 15.60, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-tert-butyl-5-phenylphenyl)-2-(2-methanidyloxy-3,5-dimethylphenyl)-4-[3-phenyl-5-[4-[2,3,5,6-tetradeuterio-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazole;platinum(2+) is sourced from PubChem (CID 167356306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).