1-[2-(4-tert-butylphenyl)-4-phenyl-5-(trideuteriomethyl)phenyl]-4-[3-[4-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]-2-(2-methanidyloxy-3,5-dimethylphenyl)benzimidazole;platinum(2+)

C66H59N3OPt — CID 167355408

About 1-[2-(4-tert-butylphenyl)-4-phenyl-5-(trideuteriomethyl)phenyl]-4-[3-[4-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]-2-(2-methanidyloxy-3,5-dimethylphenyl)benzimidazole;platinum(2+)

1-[2-(4-tert-butylphenyl)-4-phenyl-5-(trideuteriomethyl)phenyl]-4-[3-[4-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]-2-(2-methanidyloxy-3,5-dimethylphenyl)benzimidazole;platinum(2+) (PubChem CID 167355408) has the molecular formula C66H59N3OPt and a molecular weight of 1117.37 g/mol. Its IUPAC name is 1-[2-(4-tert-butylphenyl)-4-phenyl-5-(trideuteriomethyl)phenyl]-4-[3-[4-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]-2-(2-methanidyloxy-3,5-dimethylphenyl)benzimidazole;platinum(2+).

Molecular Properties

• Compound Name: 1-[2-(4-tert-butylphenyl)-4-phenyl-5-(trideuteriomethyl)phenyl]-4-[3-[4-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]-2-(2-methanidyloxy-3,5-dimethylphenyl)benzimidazole;platinum(2+)
• PubChem CID: 167355408
• Molecular Formula: C66H59N3OPt
• Molecular Weight: 1117.37 g/mol
• Exact Mass: 1116.51
• IUPAC Name: 1-[2-(4-tert-butylphenyl)-4-phenyl-5-(trideuteriomethyl)phenyl]-4-[3-[4-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]-2-(2-methanidyloxy-3,5-dimethylphenyl)benzimidazole;platinum(2+)
• SMILES: [2H]C([2H])([2H])c1cc(-n2c(-c3cc(C)cc(C)c3O[CH2-])nc3c(-c4[c-]c(-c5cc(-c6ccc(C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])cc6)ccn5)cc(-c5ccccc5)c4)cccc32)c(-c2ccc(C(C)(C)C)cc2)cc1-c1ccccc1.[Pt+2]
• InChI: InChI=1S/C66H59N3O.Pt/c1-42-34-44(3)63(70-10)58(35-42)64-68-62-55(51-37-50(45-18-13-11-14-19-45)38-52(39-51)59-40-49(32-33-67-59)46-24-28-53(29-25-46)65(4,5)6)22-17-23-60(62)69(64)61-36-43(2)56(47-20-15-12-16-21-47)41-57(61)48-26-30-54(31-27-48)66(7,8)9;/h11-38,40-41H,10H2,1-9H3;/q-2;+2/i2D3,4D3,5D3,6D3
• InChIKey: OZDYUOGJYURIRR-YTMKWLTNSA-N
• XLogP: 17.58
• TPSA: 39.94 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1117.37
LogP ≤ 5	17.58
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-[2-(4-tert-butylphenyl)-4-phenyl-5-(trideuteriomethyl)phenyl]-4-[3-[4-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]-2-(2-methanidyloxy-3,5-dimethylphenyl)benzimidazole;platinum(2+)?

The IUPAC name of 1-[2-(4-tert-butylphenyl)-4-phenyl-5-(trideuteriomethyl)phenyl]-4-[3-[4-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]-2-(2-methanidyloxy-3,5-dimethylphenyl)benzimidazole;platinum(2+) (CID 167355408) is 1-[2-(4-tert-butylphenyl)-4-phenyl-5-(trideuteriomethyl)phenyl]-4-[3-[4-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]-2-(2-methanidyloxy-3,5-dimethylphenyl)benzimidazole;platinum(2+).

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

The canonical SMILES for 1-[2-(4-tert-butylphenyl)-4-phenyl-5-(trideuteriomethyl)phenyl]-4-[3-[4-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]-2-(2-methanidyloxy-3,5-dimethylphenyl)benzimidazole;platinum(2+) is [2H]C([2H])([2H])c1cc(-n2c(-c3cc(C)cc(C)c3O[CH2-])nc3c(-c4[c-]c(-c5cc(-c6ccc(C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])cc6)ccn5)cc(-c5ccccc5)c4)cccc32)c(-c2ccc(C(C)(C)C)cc2)cc1-c1ccccc1.[Pt+2].

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

The InChIKey is OZDYUOGJYURIRR-YTMKWLTNSA-N. The full InChI is InChI=1S/C66H59N3O.Pt/c1-42-34-44(3)63(70-10)58(35-42)64-68-62-55(51-37-50(45-18-13-11-14-19-45)38-52(39-51)59-40-49(32-33-67-59)46-24-28-53(29-25-46)65(4,5)6)22-17-23-60(62)69(64)61-36-43(2)56(47-20-15-12-16-21-47)41-57(61)48-26-30-54(31-27-48)66(7,8)9;/h11-38,40-41H,10H2,1-9H3;/q-2;+2/i2D3,4D3,5D3,6D3;.

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

1-[2-(4-tert-butylphenyl)-4-phenyl-5-(trideuteriomethyl)phenyl]-4-[3-[4-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]-2-(2-methanidyloxy-3,5-dimethylphenyl)benzimidazole;platinum(2+) has a molecular weight of 1117.37 g/mol, XLogP of 17.58, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(4-tert-butylphenyl)-4-phenyl-5-(trideuteriomethyl)phenyl]-4-[3-[4-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]-2-(2-methanidyloxy-3,5-dimethylphenyl)benzimidazole;platinum(2+) is sourced from PubChem (CID 167355408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).