N-[3-[[2-(3-methyl-2H-imidazol-2-id-1-yl)-3H-dibenzothiophen-3-id-4-yl]oxy]benzene-2-id-1-yl]-N-phenylpyridin-2-amine;platinum

C33H23N4OPtS-3 — CID 153431749

About N-[3-[[2-(3-methyl-2H-imidazol-2-id-1-yl)-3H-dibenzothiophen-3-id-4-yl]oxy]benzene-2-id-1-yl]-N-phenylpyridin-2-amine;platinum

N-[3-[[2-(3-methyl-2H-imidazol-2-id-1-yl)-3H-dibenzothiophen-3-id-4-yl]oxy]benzene-2-id-1-yl]-N-phenylpyridin-2-amine;platinum (PubChem CID 153431749) has the molecular formula C33H23N4OPtS-3 and a molecular weight of 718.72 g/mol. Its IUPAC name is N-[3-[[2-(3-methyl-2H-imidazol-2-id-1-yl)-3H-dibenzothiophen-3-id-4-yl]oxy]benzene-2-id-1-yl]-N-phenylpyridin-2-amine;platinum.

Molecular Properties

• Compound Name: N-[3-[[2-(3-methyl-2H-imidazol-2-id-1-yl)-3H-dibenzothiophen-3-id-4-yl]oxy]benzene-2-id-1-yl]-N-phenylpyridin-2-amine;platinum
• PubChem CID: 153431749
• Molecular Formula: C33H23N4OPtS-3
• Molecular Weight: 718.72 g/mol
• Exact Mass: 718.13
• IUPAC Name: N-[3-[[2-(3-methyl-2H-imidazol-2-id-1-yl)-3H-dibenzothiophen-3-id-4-yl]oxy]benzene-2-id-1-yl]-N-phenylpyridin-2-amine;platinum
• SMILES: CN1C=CN(c2[c-]c(Oc3[c-]c(N(c4ccccc4)c4ccccn4)ccc3)c3sc4ccccc4c3c2)[CH-]1.[Pt]
• InChI: InChI=1S/C33H23N4OS.Pt/c1-35-18-19-36(23-35)26-21-29-28-14-5-6-15-31(28)39-33(29)30(22-26)38-27-13-9-12-25(20-27)37(24-10-3-2-4-11-24)32-16-7-8-17-34-32;/h2-19,21,23H,1H3;/q-3
• InChIKey: UEOFARNQDMTMAA-UHFFFAOYSA-N
• XLogP: 8.65
• TPSA: 31.84 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	718.72
LogP ≤ 5	8.65
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-[[2-(3-methyl-2H-imidazol-2-id-1-yl)-3H-dibenzothiophen-3-id-4-yl]oxy]benzene-2-id-1-yl]-N-phenylpyridin-2-amine;platinum?

The IUPAC name of N-[3-[[2-(3-methyl-2H-imidazol-2-id-1-yl)-3H-dibenzothiophen-3-id-4-yl]oxy]benzene-2-id-1-yl]-N-phenylpyridin-2-amine;platinum (CID 153431749) is N-[3-[[2-(3-methyl-2H-imidazol-2-id-1-yl)-3H-dibenzothiophen-3-id-4-yl]oxy]benzene-2-id-1-yl]-N-phenylpyridin-2-amine;platinum.

What is the SMILES notation for N-[3-[[2-(3-methyl-2H-imidazol-2-id-1-yl)-3H-dibenzothiophen-3-id-4-yl]oxy]benzene-2-id-1-yl]-N-phenylpyridin-2-amine;platinum?

The canonical SMILES for N-[3-[[2-(3-methyl-2H-imidazol-2-id-1-yl)-3H-dibenzothiophen-3-id-4-yl]oxy]benzene-2-id-1-yl]-N-phenylpyridin-2-amine;platinum is CN1C=CN(c2[c-]c(Oc3[c-]c(N(c4ccccc4)c4ccccn4)ccc3)c3sc4ccccc4c3c2)[CH-]1.[Pt].

What is the InChIKey of N-[3-[[2-(3-methyl-2H-imidazol-2-id-1-yl)-3H-dibenzothiophen-3-id-4-yl]oxy]benzene-2-id-1-yl]-N-phenylpyridin-2-amine;platinum?

The InChIKey is UEOFARNQDMTMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H23N4OS.Pt/c1-35-18-19-36(23-35)26-21-29-28-14-5-6-15-31(28)39-33(29)30(22-26)38-27-13-9-12-25(20-27)37(24-10-3-2-4-11-24)32-16-7-8-17-34-32;/h2-19,21,23H,1H3;/q-3;.

What are the key properties of N-[3-[[2-(3-methyl-2H-imidazol-2-id-1-yl)-3H-dibenzothiophen-3-id-4-yl]oxy]benzene-2-id-1-yl]-N-phenylpyridin-2-amine;platinum?

N-[3-[[2-(3-methyl-2H-imidazol-2-id-1-yl)-3H-dibenzothiophen-3-id-4-yl]oxy]benzene-2-id-1-yl]-N-phenylpyridin-2-amine;platinum has a molecular weight of 718.72 g/mol, XLogP of 8.65, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[[2-(3-methyl-2H-imidazol-2-id-1-yl)-3H-dibenzothiophen-3-id-4-yl]oxy]benzene-2-id-1-yl]-N-phenylpyridin-2-amine;platinum is sourced from PubChem (CID 153431749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).