2-(3-methyl-2H-imidazol-2-id-1-yl)-N-phenyl-N-(2-pyridin-2-yloxy-3H-dibenzofuran-3-id-4-yl)-3H-dibenzofuran-3-id-4-amine;platinum

C39H25N4O3Pt-3 — CID 153431967

About 2-(3-methyl-2H-imidazol-2-id-1-yl)-N-phenyl-N-(2-pyridin-2-yloxy-3H-dibenzofuran-3-id-4-yl)-3H-dibenzofuran-3-id-4-amine;platinum

2-(3-methyl-2H-imidazol-2-id-1-yl)-N-phenyl-N-(2-pyridin-2-yloxy-3H-dibenzofuran-3-id-4-yl)-3H-dibenzofuran-3-id-4-amine;platinum (PubChem CID 153431967) has the molecular formula C39H25N4O3Pt-3 and a molecular weight of 792.73 g/mol. Its IUPAC name is 2-(3-methyl-2H-imidazol-2-id-1-yl)-N-phenyl-N-(2-pyridin-2-yloxy-3H-dibenzofuran-3-id-4-yl)-3H-dibenzofuran-3-id-4-amine;platinum.

Molecular Properties

• Compound Name: 2-(3-methyl-2H-imidazol-2-id-1-yl)-N-phenyl-N-(2-pyridin-2-yloxy-3H-dibenzofuran-3-id-4-yl)-3H-dibenzofuran-3-id-4-amine;platinum
• PubChem CID: 153431967
• Molecular Formula: C39H25N4O3Pt-3
• Molecular Weight: 792.73 g/mol
• Exact Mass: 792.16
• IUPAC Name: 2-(3-methyl-2H-imidazol-2-id-1-yl)-N-phenyl-N-(2-pyridin-2-yloxy-3H-dibenzofuran-3-id-4-yl)-3H-dibenzofuran-3-id-4-amine;platinum
• SMILES: CN1C=CN(c2[c-]c(N(c3ccccc3)c3[c-]c(Oc4ccccn4)cc4c3oc3ccccc34)c3oc4ccccc4c3c2)[CH-]1.[Pt]
• InChI: InChI=1S/C39H25N4O3.Pt/c1-41-19-20-42(25-41)27-21-31-29-13-5-7-15-35(29)45-38(31)33(22-27)43(26-11-3-2-4-12-26)34-24-28(44-37-17-9-10-18-40-37)23-32-30-14-6-8-16-36(30)46-39(32)34;/h2-21,23,25H,1H3;/q-3
• InChIKey: VBKSDPAGZXOADU-UHFFFAOYSA-N
• XLogP: 10.08
• TPSA: 58.12 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	792.73
LogP ≤ 5	10.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2H-imidazol-2-id-1-yl)-N-phenyl-N-(2-pyridin-2-yloxy-3H-dibenzofuran-3-id-4-yl)-3H-dibenzofuran-3-id-4-amine;platinum?

The IUPAC name of 2-(3-methyl-2H-imidazol-2-id-1-yl)-N-phenyl-N-(2-pyridin-2-yloxy-3H-dibenzofuran-3-id-4-yl)-3H-dibenzofuran-3-id-4-amine;platinum (CID 153431967) is 2-(3-methyl-2H-imidazol-2-id-1-yl)-N-phenyl-N-(2-pyridin-2-yloxy-3H-dibenzofuran-3-id-4-yl)-3H-dibenzofuran-3-id-4-amine;platinum.

What is the SMILES notation for 2-(3-methyl-2H-imidazol-2-id-1-yl)-N-phenyl-N-(2-pyridin-2-yloxy-3H-dibenzofuran-3-id-4-yl)-3H-dibenzofuran-3-id-4-amine;platinum?

The canonical SMILES for 2-(3-methyl-2H-imidazol-2-id-1-yl)-N-phenyl-N-(2-pyridin-2-yloxy-3H-dibenzofuran-3-id-4-yl)-3H-dibenzofuran-3-id-4-amine;platinum is CN1C=CN(c2[c-]c(N(c3ccccc3)c3[c-]c(Oc4ccccn4)cc4c3oc3ccccc34)c3oc4ccccc4c3c2)[CH-]1.[Pt].

What is the InChIKey of 2-(3-methyl-2H-imidazol-2-id-1-yl)-N-phenyl-N-(2-pyridin-2-yloxy-3H-dibenzofuran-3-id-4-yl)-3H-dibenzofuran-3-id-4-amine;platinum?

The InChIKey is VBKSDPAGZXOADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H25N4O3.Pt/c1-41-19-20-42(25-41)27-21-31-29-13-5-7-15-35(29)45-38(31)33(22-27)43(26-11-3-2-4-12-26)34-24-28(44-37-17-9-10-18-40-37)23-32-30-14-6-8-16-36(30)46-39(32)34;/h2-21,23,25H,1H3;/q-3;.

What are the key properties of 2-(3-methyl-2H-imidazol-2-id-1-yl)-N-phenyl-N-(2-pyridin-2-yloxy-3H-dibenzofuran-3-id-4-yl)-3H-dibenzofuran-3-id-4-amine;platinum?

2-(3-methyl-2H-imidazol-2-id-1-yl)-N-phenyl-N-(2-pyridin-2-yloxy-3H-dibenzofuran-3-id-4-yl)-3H-dibenzofuran-3-id-4-amine;platinum has a molecular weight of 792.73 g/mol, XLogP of 10.08, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-methyl-2H-imidazol-2-id-1-yl)-N-phenyl-N-(2-pyridin-2-yloxy-3H-dibenzofuran-3-id-4-yl)-3H-dibenzofuran-3-id-4-amine;platinum is sourced from PubChem (CID 153431967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).