2-[4-phenyl-6-[2-(3-phenylimidazo[2,1-a]isoquinolin-2-yl)-3H-dibenzofuran-3-id-4-yl]-2-pyridinyl]phenol;platinum

C46H28N3O2Pt- — CID 169318153

About 2-[4-phenyl-6-[2-(3-phenylimidazo[2,1-a]isoquinolin-2-yl)-3H-dibenzofuran-3-id-4-yl]-2-pyridinyl]phenol;platinum

2-[4-phenyl-6-[2-(3-phenylimidazo[2,1-a]isoquinolin-2-yl)-3H-dibenzofuran-3-id-4-yl]-2-pyridinyl]phenol;platinum (PubChem CID 169318153) has the molecular formula C46H28N3O2Pt- and a molecular weight of 849.83 g/mol. Its IUPAC name is 2-[4-phenyl-6-[2-(3-phenylimidazo[2,1-a]isoquinolin-2-yl)-3H-dibenzofuran-3-id-4-yl]-2-pyridinyl]phenol;platinum.

Molecular Properties

• Compound Name: 2-[4-phenyl-6-[2-(3-phenylimidazo[2,1-a]isoquinolin-2-yl)-3H-dibenzofuran-3-id-4-yl]-2-pyridinyl]phenol;platinum
• PubChem CID: 169318153
• Molecular Formula: C46H28N3O2Pt-
• Molecular Weight: 849.83 g/mol
• Exact Mass: 849.18
• IUPAC Name: 2-[4-phenyl-6-[2-(3-phenylimidazo[2,1-a]isoquinolin-2-yl)-3H-dibenzofuran-3-id-4-yl]-2-pyridinyl]phenol;platinum
• SMILES: Oc1ccccc1-c1cc(-c2ccccc2)cc(-c2[c-]c(-c3nc4c5ccccc5ccn4c3-c3ccccc3)cc3c2oc2ccccc23)n1.[Pt]
• InChI: InChI=1S/C46H28N3O2.Pt/c50-41-21-11-9-20-36(41)39-27-32(29-13-3-1-4-14-29)28-40(47-39)38-26-33(25-37-35-19-10-12-22-42(35)51-45(37)38)43-44(31-16-5-2-6-17-31)49-24-23-30-15-7-8-18-34(30)46(49)48-43;/h1-25,27-28,50H;/q-1
• InChIKey: GENHDDUNJMNZHH-UHFFFAOYSA-N
• XLogP: 11.62
• TPSA: 63.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	849.83
LogP ≤ 5	11.62
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-[4-phenyl-6-[2-(3-phenylimidazo[2,1-a]isoquinolin-2-yl)-3H-dibenzofuran-3-id-4-yl]-2-pyridinyl]phenol;platinum?

The IUPAC name of 2-[4-phenyl-6-[2-(3-phenylimidazo[2,1-a]isoquinolin-2-yl)-3H-dibenzofuran-3-id-4-yl]-2-pyridinyl]phenol;platinum (CID 169318153) is 2-[4-phenyl-6-[2-(3-phenylimidazo[2,1-a]isoquinolin-2-yl)-3H-dibenzofuran-3-id-4-yl]-2-pyridinyl]phenol;platinum.

What is the SMILES notation for 2-[4-phenyl-6-[2-(3-phenylimidazo[2,1-a]isoquinolin-2-yl)-3H-dibenzofuran-3-id-4-yl]-2-pyridinyl]phenol;platinum?

The canonical SMILES for 2-[4-phenyl-6-[2-(3-phenylimidazo[2,1-a]isoquinolin-2-yl)-3H-dibenzofuran-3-id-4-yl]-2-pyridinyl]phenol;platinum is Oc1ccccc1-c1cc(-c2ccccc2)cc(-c2[c-]c(-c3nc4c5ccccc5ccn4c3-c3ccccc3)cc3c2oc2ccccc23)n1.[Pt].

What is the InChIKey of 2-[4-phenyl-6-[2-(3-phenylimidazo[2,1-a]isoquinolin-2-yl)-3H-dibenzofuran-3-id-4-yl]-2-pyridinyl]phenol;platinum?

The InChIKey is GENHDDUNJMNZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N3O2.Pt/c50-41-21-11-9-20-36(41)39-27-32(29-13-3-1-4-14-29)28-40(47-39)38-26-33(25-37-35-19-10-12-22-42(35)51-45(37)38)43-44(31-16-5-2-6-17-31)49-24-23-30-15-7-8-18-34(30)46(49)48-43;/h1-25,27-28,50H;/q-1;.

What are the key properties of 2-[4-phenyl-6-[2-(3-phenylimidazo[2,1-a]isoquinolin-2-yl)-3H-dibenzofuran-3-id-4-yl]-2-pyridinyl]phenol;platinum?

2-[4-phenyl-6-[2-(3-phenylimidazo[2,1-a]isoquinolin-2-yl)-3H-dibenzofuran-3-id-4-yl]-2-pyridinyl]phenol;platinum has a molecular weight of 849.83 g/mol, XLogP of 11.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-phenyl-6-[2-(3-phenylimidazo[2,1-a]isoquinolin-2-yl)-3H-dibenzofuran-3-id-4-yl]-2-pyridinyl]phenol;platinum is sourced from PubChem (CID 169318153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).