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

C33H22N4O2Pt — CID 153431925

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

N-[3-[3-(1-methylpyrazol-3-yl)benzene-2-id-1-yl]oxy-2H-dibenzofuran-2-id-1-yl]-N-phenylpyridin-2-amine;platinum(2+) (PubChem CID 153431925) has the molecular formula C33H22N4O2Pt and a molecular weight of 701.64 g/mol. Its IUPAC name is N-[3-[3-(1-methylpyrazol-3-yl)benzene-2-id-1-yl]oxy-2H-dibenzofuran-2-id-1-yl]-N-phenylpyridin-2-amine;platinum(2+).

Molecular Properties

• Compound Name: N-[3-[3-(1-methylpyrazol-3-yl)benzene-2-id-1-yl]oxy-2H-dibenzofuran-2-id-1-yl]-N-phenylpyridin-2-amine;platinum(2+)
• PubChem CID: 153431925
• Molecular Formula: C33H22N4O2Pt
• Molecular Weight: 701.64 g/mol
• Exact Mass: 701.14
• IUPAC Name: N-[3-[3-(1-methylpyrazol-3-yl)benzene-2-id-1-yl]oxy-2H-dibenzofuran-2-id-1-yl]-N-phenylpyridin-2-amine;platinum(2+)
• SMILES: Cn1ccc(-c2[c-]c(Oc3[c-]c(N(c4ccccc4)c4ccccn4)c4c(c3)oc3ccccc34)ccc2)n1.[Pt+2]
• InChI: InChI=1S/C33H22N4O2.Pt/c1-36-19-17-28(35-36)23-10-9-13-25(20-23)38-26-21-29(33-27-14-5-6-15-30(27)39-31(33)22-26)37(24-11-3-2-4-12-24)32-16-7-8-18-34-32;/h2-19,22H,1H3;/q-2;+2
• InChIKey: BCBGEDBHQZLBOM-UHFFFAOYSA-N
• XLogP: 8.24
• TPSA: 56.32 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	701.64
LogP ≤ 5	8.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(1-methylpyrazol-3-yl)benzene-2-id-1-yl]oxy-2H-dibenzofuran-2-id-1-yl]-N-phenylpyridin-2-amine;platinum(2+)?

The IUPAC name of N-[3-[3-(1-methylpyrazol-3-yl)benzene-2-id-1-yl]oxy-2H-dibenzofuran-2-id-1-yl]-N-phenylpyridin-2-amine;platinum(2+) (CID 153431925) is N-[3-[3-(1-methylpyrazol-3-yl)benzene-2-id-1-yl]oxy-2H-dibenzofuran-2-id-1-yl]-N-phenylpyridin-2-amine;platinum(2+).

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

The canonical SMILES for N-[3-[3-(1-methylpyrazol-3-yl)benzene-2-id-1-yl]oxy-2H-dibenzofuran-2-id-1-yl]-N-phenylpyridin-2-amine;platinum(2+) is Cn1ccc(-c2[c-]c(Oc3[c-]c(N(c4ccccc4)c4ccccn4)c4c(c3)oc3ccccc34)ccc2)n1.[Pt+2].

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

The InChIKey is BCBGEDBHQZLBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H22N4O2.Pt/c1-36-19-17-28(35-36)23-10-9-13-25(20-23)38-26-21-29(33-27-14-5-6-15-30(27)39-31(33)22-26)37(24-11-3-2-4-12-24)32-16-7-8-18-34-32;/h2-19,22H,1H3;/q-2;+2.

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

N-[3-[3-(1-methylpyrazol-3-yl)benzene-2-id-1-yl]oxy-2H-dibenzofuran-2-id-1-yl]-N-phenylpyridin-2-amine;platinum(2+) has a molecular weight of 701.64 g/mol, XLogP of 8.24, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[3-(1-methylpyrazol-3-yl)benzene-2-id-1-yl]oxy-2H-dibenzofuran-2-id-1-yl]-N-phenylpyridin-2-amine;platinum(2+) is sourced from PubChem (CID 153431925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).