2-[1-[4-(2-tert-butyl-6-phenylphenyl)-2-methylphenyl]-4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum

C57H50N3OPt- — CID 164701086

About 2-[1-[4-(2-tert-butyl-6-phenylphenyl)-2-methylphenyl]-4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum

2-[1-[4-(2-tert-butyl-6-phenylphenyl)-2-methylphenyl]-4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum (PubChem CID 164701086) has the molecular formula C57H50N3OPt- and a molecular weight of 988.12 g/mol. Its IUPAC name is 2-[1-[4-(2-tert-butyl-6-phenylphenyl)-2-methylphenyl]-4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum.

Molecular Properties

• Compound Name: 2-[1-[4-(2-tert-butyl-6-phenylphenyl)-2-methylphenyl]-4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum
• PubChem CID: 164701086
• Molecular Formula: C57H50N3OPt-
• Molecular Weight: 988.12 g/mol
• Exact Mass: 987.36
• IUPAC Name: 2-[1-[4-(2-tert-butyl-6-phenylphenyl)-2-methylphenyl]-4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum
• SMILES: Cc1cc(-c2c(-c3ccccc3)cccc2C(C)(C)C)ccc1-n1c(-c2ccccc2O)nc2c(-c3[c-]c(-c4cc(-c5ccccc5)ccn4)cc(C(C)(C)C)c3)cccc21.[Pt]
• InChI: InChI=1S/C57H50N3O.Pt/c1-37-32-41(53-45(39-20-12-9-13-21-39)23-16-25-48(53)57(5,6)7)28-29-50(37)60-51-26-17-24-46(54(51)59-55(60)47-22-14-15-27-52(47)61)42-33-43(35-44(34-42)56(2,3)4)49-36-40(30-31-58-49)38-18-10-8-11-19-38;/h8-32,34-36,61H,1-7H3;/q-1
• InChIKey: ZDSWJMRCWNKNBZ-UHFFFAOYSA-N
• XLogP: 14.83
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	988.12
LogP ≤ 5	14.83
H-Bond Donors ≤ 5	1
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 2-[1-[4-(2-tert-butyl-6-phenylphenyl)-2-methylphenyl]-4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum?

The IUPAC name of 2-[1-[4-(2-tert-butyl-6-phenylphenyl)-2-methylphenyl]-4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum (CID 164701086) is 2-[1-[4-(2-tert-butyl-6-phenylphenyl)-2-methylphenyl]-4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum.

What is the SMILES notation for 2-[1-[4-(2-tert-butyl-6-phenylphenyl)-2-methylphenyl]-4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum?

The canonical SMILES for 2-[1-[4-(2-tert-butyl-6-phenylphenyl)-2-methylphenyl]-4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum is Cc1cc(-c2c(-c3ccccc3)cccc2C(C)(C)C)ccc1-n1c(-c2ccccc2O)nc2c(-c3[c-]c(-c4cc(-c5ccccc5)ccn4)cc(C(C)(C)C)c3)cccc21.[Pt].

What is the InChIKey of 2-[1-[4-(2-tert-butyl-6-phenylphenyl)-2-methylphenyl]-4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum?

The InChIKey is ZDSWJMRCWNKNBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H50N3O.Pt/c1-37-32-41(53-45(39-20-12-9-13-21-39)23-16-25-48(53)57(5,6)7)28-29-50(37)60-51-26-17-24-46(54(51)59-55(60)47-22-14-15-27-52(47)61)42-33-43(35-44(34-42)56(2,3)4)49-36-40(30-31-58-49)38-18-10-8-11-19-38;/h8-32,34-36,61H,1-7H3;/q-1;.

What are the key properties of 2-[1-[4-(2-tert-butyl-6-phenylphenyl)-2-methylphenyl]-4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum?

2-[1-[4-(2-tert-butyl-6-phenylphenyl)-2-methylphenyl]-4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum has a molecular weight of 988.12 g/mol, XLogP of 14.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[4-(2-tert-butyl-6-phenylphenyl)-2-methylphenyl]-4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 164701086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).