N-[3-[[2-(1-methylimidazol-2-yl)-3H-dibenzofuran-3-id-4-yl]oxy]-2H-dibenzofuran-2-id-1-yl]-N-phenylpyridin-2-amine;platinum(2+)

C39H24N4O3Pt — CID 153431693

About N-[3-[[2-(1-methylimidazol-2-yl)-3H-dibenzofuran-3-id-4-yl]oxy]-2H-dibenzofuran-2-id-1-yl]-N-phenylpyridin-2-amine;platinum(2+)

N-[3-[[2-(1-methylimidazol-2-yl)-3H-dibenzofuran-3-id-4-yl]oxy]-2H-dibenzofuran-2-id-1-yl]-N-phenylpyridin-2-amine;platinum(2+) (PubChem CID 153431693) has the molecular formula C39H24N4O3Pt and a molecular weight of 791.72 g/mol. Its IUPAC name is N-[3-[[2-(1-methylimidazol-2-yl)-3H-dibenzofuran-3-id-4-yl]oxy]-2H-dibenzofuran-2-id-1-yl]-N-phenylpyridin-2-amine;platinum(2+).

Molecular Properties

• Compound Name: N-[3-[[2-(1-methylimidazol-2-yl)-3H-dibenzofuran-3-id-4-yl]oxy]-2H-dibenzofuran-2-id-1-yl]-N-phenylpyridin-2-amine;platinum(2+)
• PubChem CID: 153431693
• Molecular Formula: C39H24N4O3Pt
• Molecular Weight: 791.72 g/mol
• Exact Mass: 791.15
• IUPAC Name: N-[3-[[2-(1-methylimidazol-2-yl)-3H-dibenzofuran-3-id-4-yl]oxy]-2H-dibenzofuran-2-id-1-yl]-N-phenylpyridin-2-amine;platinum(2+)
• SMILES: Cn1ccnc1-c1[c-]c(Oc2[c-]c(N(c3ccccc3)c3ccccn3)c3c(c2)oc2ccccc23)c2oc3ccccc3c2c1.[Pt+2]
• InChI: InChI=1S/C39H24N4O3.Pt/c1-42-20-19-41-39(42)25-21-30-28-13-5-7-15-32(28)46-38(30)35(22-25)44-27-23-31(37-29-14-6-8-16-33(29)45-34(37)24-27)43(26-11-3-2-4-12-26)36-17-9-10-18-40-36;/h2-21,24H,1H3;/q-2;+2
• InChIKey: YWOHBSLNKINJGX-UHFFFAOYSA-N
• XLogP: 10.14
• TPSA: 69.46 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	791.72
LogP ≤ 5	10.14
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 N-[3-[[2-(1-methylimidazol-2-yl)-3H-dibenzofuran-3-id-4-yl]oxy]-2H-dibenzofuran-2-id-1-yl]-N-phenylpyridin-2-amine;platinum(2+)?

The IUPAC name of N-[3-[[2-(1-methylimidazol-2-yl)-3H-dibenzofuran-3-id-4-yl]oxy]-2H-dibenzofuran-2-id-1-yl]-N-phenylpyridin-2-amine;platinum(2+) (CID 153431693) is N-[3-[[2-(1-methylimidazol-2-yl)-3H-dibenzofuran-3-id-4-yl]oxy]-2H-dibenzofuran-2-id-1-yl]-N-phenylpyridin-2-amine;platinum(2+).

What is the SMILES notation for N-[3-[[2-(1-methylimidazol-2-yl)-3H-dibenzofuran-3-id-4-yl]oxy]-2H-dibenzofuran-2-id-1-yl]-N-phenylpyridin-2-amine;platinum(2+)?

The canonical SMILES for N-[3-[[2-(1-methylimidazol-2-yl)-3H-dibenzofuran-3-id-4-yl]oxy]-2H-dibenzofuran-2-id-1-yl]-N-phenylpyridin-2-amine;platinum(2+) is Cn1ccnc1-c1[c-]c(Oc2[c-]c(N(c3ccccc3)c3ccccn3)c3c(c2)oc2ccccc23)c2oc3ccccc3c2c1.[Pt+2].

What is the InChIKey of N-[3-[[2-(1-methylimidazol-2-yl)-3H-dibenzofuran-3-id-4-yl]oxy]-2H-dibenzofuran-2-id-1-yl]-N-phenylpyridin-2-amine;platinum(2+)?

The InChIKey is YWOHBSLNKINJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H24N4O3.Pt/c1-42-20-19-41-39(42)25-21-30-28-13-5-7-15-32(28)46-38(30)35(22-25)44-27-23-31(37-29-14-6-8-16-33(29)45-34(37)24-27)43(26-11-3-2-4-12-26)36-17-9-10-18-40-36;/h2-21,24H,1H3;/q-2;+2.

What are the key properties of N-[3-[[2-(1-methylimidazol-2-yl)-3H-dibenzofuran-3-id-4-yl]oxy]-2H-dibenzofuran-2-id-1-yl]-N-phenylpyridin-2-amine;platinum(2+)?

N-[3-[[2-(1-methylimidazol-2-yl)-3H-dibenzofuran-3-id-4-yl]oxy]-2H-dibenzofuran-2-id-1-yl]-N-phenylpyridin-2-amine;platinum(2+) has a molecular weight of 791.72 g/mol, XLogP of 10.14, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[[2-(1-methylimidazol-2-yl)-3H-dibenzofuran-3-id-4-yl]oxy]-2H-dibenzofuran-2-id-1-yl]-N-phenylpyridin-2-amine;platinum(2+) is sourced from PubChem (CID 153431693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).