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

C53H42N3OPt- — CID 153479869

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

2-[4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[3-phenyl-5-(trideuteriomethyl)phenyl]benzimidazol-2-yl]phenol;platinum (PubChem CID 153479869) has the molecular formula C53H42N3OPt- and a molecular weight of 935.04 g/mol. Its IUPAC name is 2-[4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[3-phenyl-5-(trideuteriomethyl)phenyl]benzimidazol-2-yl]phenol;platinum.

Molecular Properties

• Compound Name: 2-[4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[3-phenyl-5-(trideuteriomethyl)phenyl]benzimidazol-2-yl]phenol;platinum
• PubChem CID: 153479869
• Molecular Formula: C53H42N3OPt-
• Molecular Weight: 935.04 g/mol
• Exact Mass: 934.32
• IUPAC Name: 2-[4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[3-phenyl-5-(trideuteriomethyl)phenyl]benzimidazol-2-yl]phenol;platinum
• SMILES: [2H]C([2H])([2H])c1cc(-c2ccccc2)cc(-n2c(-c3ccccc3O)nc3c(-c4[c-]c(-c5cc(-c6ccc(-c7ccccc7)cc6)ccn5)cc(C(C)(C)C)c4)cccc32)c1.[Pt]
• InChI: InChI=1S/C53H42N3O.Pt/c1-35-28-41(37-16-9-6-10-17-37)33-45(29-35)56-49-20-13-19-46(51(49)55-52(56)47-18-11-12-21-50(47)57)42-30-43(32-44(31-42)53(2,3)4)48-34-40(26-27-54-48)39-24-22-38(23-25-39)36-14-7-5-8-15-36;/h5-29,31-34,57H,1-4H3;/q-1;/i1D3
• InChIKey: OITHTUQBLMYZIV-NIIDSAIPSA-N
• XLogP: 13.53
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	935.04
LogP ≤ 5	13.53
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-[4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[3-phenyl-5-(trideuteriomethyl)phenyl]benzimidazol-2-yl]phenol;platinum?

The IUPAC name of 2-[4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[3-phenyl-5-(trideuteriomethyl)phenyl]benzimidazol-2-yl]phenol;platinum (CID 153479869) is 2-[4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[3-phenyl-5-(trideuteriomethyl)phenyl]benzimidazol-2-yl]phenol;platinum.

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

The canonical SMILES for 2-[4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[3-phenyl-5-(trideuteriomethyl)phenyl]benzimidazol-2-yl]phenol;platinum is [2H]C([2H])([2H])c1cc(-c2ccccc2)cc(-n2c(-c3ccccc3O)nc3c(-c4[c-]c(-c5cc(-c6ccc(-c7ccccc7)cc6)ccn5)cc(C(C)(C)C)c4)cccc32)c1.[Pt].

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

The InChIKey is OITHTUQBLMYZIV-NIIDSAIPSA-N. The full InChI is InChI=1S/C53H42N3O.Pt/c1-35-28-41(37-16-9-6-10-17-37)33-45(29-35)56-49-20-13-19-46(51(49)55-52(56)47-18-11-12-21-50(47)57)42-30-43(32-44(31-42)53(2,3)4)48-34-40(26-27-54-48)39-24-22-38(23-25-39)36-14-7-5-8-15-36;/h5-29,31-34,57H,1-4H3;/q-1;/i1D3;.

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

2-[4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[3-phenyl-5-(trideuteriomethyl)phenyl]benzimidazol-2-yl]phenol;platinum has a molecular weight of 935.04 g/mol, XLogP of 13.53, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[3-phenyl-5-(trideuteriomethyl)phenyl]benzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 153479869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).