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

C38H38N3OPtSi- — CID 140831947

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

4-tert-butyl-2-[1-methyl-4-[3-phenyl-5-(5-trimethylsilyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum (PubChem CID 140831947) has the molecular formula C38H38N3OPtSi- and a molecular weight of 775.91 g/mol. Its IUPAC name is 4-tert-butyl-2-[1-methyl-4-[3-phenyl-5-(5-trimethylsilyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum.

Molecular Properties

• Compound Name: 4-tert-butyl-2-[1-methyl-4-[3-phenyl-5-(5-trimethylsilyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum
• PubChem CID: 140831947
• Molecular Formula: C38H38N3OPtSi-
• Molecular Weight: 775.91 g/mol
• Exact Mass: 775.24
• IUPAC Name: 4-tert-butyl-2-[1-methyl-4-[3-phenyl-5-(5-trimethylsilyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum
• SMILES: Cn1c(-c2cc(C(C)(C)C)ccc2O)nc2c(-c3[c-]c(-c4ccc([Si](C)(C)C)cn4)cc(-c4ccccc4)c3)cccc21.[Pt]
• InChI: InChI=1S/C38H38N3OSi.Pt/c1-38(2,3)29-16-19-35(42)32(23-29)37-40-36-31(14-11-15-34(36)41(37)4)27-20-26(25-12-9-8-10-13-25)21-28(22-27)33-18-17-30(24-39-33)43(5,6)7;/h8-21,23-24,42H,1-7H3;/q-1
• InChIKey: CVOPOEKXMHJBQK-UHFFFAOYSA-N
• XLogP: 8.98
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	775.91
LogP ≤ 5	8.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[1-methyl-4-[3-phenyl-5-(5-trimethylsilyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum?

The IUPAC name of 4-tert-butyl-2-[1-methyl-4-[3-phenyl-5-(5-trimethylsilyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum (CID 140831947) is 4-tert-butyl-2-[1-methyl-4-[3-phenyl-5-(5-trimethylsilyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum.

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

The canonical SMILES for 4-tert-butyl-2-[1-methyl-4-[3-phenyl-5-(5-trimethylsilyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum is Cn1c(-c2cc(C(C)(C)C)ccc2O)nc2c(-c3[c-]c(-c4ccc([Si](C)(C)C)cn4)cc(-c4ccccc4)c3)cccc21.[Pt].

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

The InChIKey is CVOPOEKXMHJBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H38N3OSi.Pt/c1-38(2,3)29-16-19-35(42)32(23-29)37-40-36-31(14-11-15-34(36)41(37)4)27-20-26(25-12-9-8-10-13-25)21-28(22-27)33-18-17-30(24-39-33)43(5,6)7;/h8-21,23-24,42H,1-7H3;/q-1;.

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

4-tert-butyl-2-[1-methyl-4-[3-phenyl-5-(5-trimethylsilyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum has a molecular weight of 775.91 g/mol, XLogP of 8.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-2-[1-methyl-4-[3-phenyl-5-(5-trimethylsilyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 140831947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).