2-[1-[2-phenyl-4-(trideuteriomethyl)phenyl]-4-(4-pyridin-2-yl-3H-dibenzofuran-3-id-2-yl)benzimidazol-2-yl]phenol;platinum

C43H28N3O2Pt- — CID 162782836

About 2-[1-[2-phenyl-4-(trideuteriomethyl)phenyl]-4-(4-pyridin-2-yl-3H-dibenzofuran-3-id-2-yl)benzimidazol-2-yl]phenol;platinum

2-[1-[2-phenyl-4-(trideuteriomethyl)phenyl]-4-(4-pyridin-2-yl-3H-dibenzofuran-3-id-2-yl)benzimidazol-2-yl]phenol;platinum (PubChem CID 162782836) has the molecular formula C43H28N3O2Pt- and a molecular weight of 816.81 g/mol. Its IUPAC name is 2-[1-[2-phenyl-4-(trideuteriomethyl)phenyl]-4-(4-pyridin-2-yl-3H-dibenzofuran-3-id-2-yl)benzimidazol-2-yl]phenol;platinum.

Molecular Properties

• Compound Name: 2-[1-[2-phenyl-4-(trideuteriomethyl)phenyl]-4-(4-pyridin-2-yl-3H-dibenzofuran-3-id-2-yl)benzimidazol-2-yl]phenol;platinum
• PubChem CID: 162782836
• Molecular Formula: C43H28N3O2Pt-
• Molecular Weight: 816.81 g/mol
• Exact Mass: 816.20
• IUPAC Name: 2-[1-[2-phenyl-4-(trideuteriomethyl)phenyl]-4-(4-pyridin-2-yl-3H-dibenzofuran-3-id-2-yl)benzimidazol-2-yl]phenol;platinum
• SMILES: [2H]C([2H])([2H])c1ccc(-n2c(-c3ccccc3O)nc3c(-c4[c-]c(-c5ccccn5)c5oc6ccccc6c5c4)cccc32)c(-c2ccccc2)c1.[Pt]
• InChI: InChI=1S/C43H28N3O2.Pt/c1-27-21-22-37(33(24-27)28-12-3-2-4-13-28)46-38-18-11-16-30(41(38)45-43(46)32-15-5-7-19-39(32)47)29-25-34-31-14-6-8-20-40(31)48-42(34)35(26-29)36-17-9-10-23-44-36;/h2-25,47H,1H3;/q-1;/i1D3
• InChIKey: LZITYYKYTVDGKQ-NIIDSAIPSA-N
• XLogP: 10.80
• TPSA: 64.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	816.81
LogP ≤ 5	10.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-phenyl-4-(trideuteriomethyl)phenyl]-4-(4-pyridin-2-yl-3H-dibenzofuran-3-id-2-yl)benzimidazol-2-yl]phenol;platinum?

The IUPAC name of 2-[1-[2-phenyl-4-(trideuteriomethyl)phenyl]-4-(4-pyridin-2-yl-3H-dibenzofuran-3-id-2-yl)benzimidazol-2-yl]phenol;platinum (CID 162782836) is 2-[1-[2-phenyl-4-(trideuteriomethyl)phenyl]-4-(4-pyridin-2-yl-3H-dibenzofuran-3-id-2-yl)benzimidazol-2-yl]phenol;platinum.

What is the SMILES notation for 2-[1-[2-phenyl-4-(trideuteriomethyl)phenyl]-4-(4-pyridin-2-yl-3H-dibenzofuran-3-id-2-yl)benzimidazol-2-yl]phenol;platinum?

The canonical SMILES for 2-[1-[2-phenyl-4-(trideuteriomethyl)phenyl]-4-(4-pyridin-2-yl-3H-dibenzofuran-3-id-2-yl)benzimidazol-2-yl]phenol;platinum is [2H]C([2H])([2H])c1ccc(-n2c(-c3ccccc3O)nc3c(-c4[c-]c(-c5ccccn5)c5oc6ccccc6c5c4)cccc32)c(-c2ccccc2)c1.[Pt].

What is the InChIKey of 2-[1-[2-phenyl-4-(trideuteriomethyl)phenyl]-4-(4-pyridin-2-yl-3H-dibenzofuran-3-id-2-yl)benzimidazol-2-yl]phenol;platinum?

The InChIKey is LZITYYKYTVDGKQ-NIIDSAIPSA-N. The full InChI is InChI=1S/C43H28N3O2.Pt/c1-27-21-22-37(33(24-27)28-12-3-2-4-13-28)46-38-18-11-16-30(41(38)45-43(46)32-15-5-7-19-39(32)47)29-25-34-31-14-6-8-20-40(31)48-42(34)35(26-29)36-17-9-10-23-44-36;/h2-25,47H,1H3;/q-1;/i1D3;.

What are the key properties of 2-[1-[2-phenyl-4-(trideuteriomethyl)phenyl]-4-(4-pyridin-2-yl-3H-dibenzofuran-3-id-2-yl)benzimidazol-2-yl]phenol;platinum?

2-[1-[2-phenyl-4-(trideuteriomethyl)phenyl]-4-(4-pyridin-2-yl-3H-dibenzofuran-3-id-2-yl)benzimidazol-2-yl]phenol;platinum has a molecular weight of 816.81 g/mol, XLogP of 10.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[2-phenyl-4-(trideuteriomethyl)phenyl]-4-(4-pyridin-2-yl-3H-dibenzofuran-3-id-2-yl)benzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 162782836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).