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

C47H30N3O2Pt- — CID 169318232

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

2-[4-(2-methylphenyl)-6-[2-(3-phenylimidazo[2,1-a]isoquinolin-2-yl)-3H-dibenzofuran-3-id-4-yl]-2-pyridinyl]phenol;platinum (PubChem CID 169318232) has the molecular formula C47H30N3O2Pt- and a molecular weight of 863.85 g/mol. Its IUPAC name is 2-[4-(2-methylphenyl)-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-(2-methylphenyl)-6-[2-(3-phenylimidazo[2,1-a]isoquinolin-2-yl)-3H-dibenzofuran-3-id-4-yl]-2-pyridinyl]phenol;platinum
• PubChem CID: 169318232
• Molecular Formula: C47H30N3O2Pt-
• Molecular Weight: 863.85 g/mol
• Exact Mass: 863.20
• IUPAC Name: 2-[4-(2-methylphenyl)-6-[2-(3-phenylimidazo[2,1-a]isoquinolin-2-yl)-3H-dibenzofuran-3-id-4-yl]-2-pyridinyl]phenol;platinum
• SMILES: Cc1ccccc1-c1cc(-c2ccccc2O)nc(-c2[c-]c(-c3nc4c5ccccc5ccn4c3-c3ccccc3)cc3c2oc2ccccc23)c1.[Pt]
• InChI: InChI=1S/C47H30N3O2.Pt/c1-29-13-5-7-17-34(29)32-27-40(37-20-9-11-21-42(37)51)48-41(28-32)39-26-33(25-38-36-19-10-12-22-43(36)52-46(38)39)44-45(31-15-3-2-4-16-31)50-24-23-30-14-6-8-18-35(30)47(50)49-44;/h2-25,27-28,51H,1H3;/q-1
• InChIKey: CHAPFBCYESCSMS-UHFFFAOYSA-N
• XLogP: 11.93
• TPSA: 63.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	863.85
LogP ≤ 5	11.93
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-(2-methylphenyl)-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-(2-methylphenyl)-6-[2-(3-phenylimidazo[2,1-a]isoquinolin-2-yl)-3H-dibenzofuran-3-id-4-yl]-2-pyridinyl]phenol;platinum (CID 169318232) is 2-[4-(2-methylphenyl)-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-(2-methylphenyl)-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-(2-methylphenyl)-6-[2-(3-phenylimidazo[2,1-a]isoquinolin-2-yl)-3H-dibenzofuran-3-id-4-yl]-2-pyridinyl]phenol;platinum is Cc1ccccc1-c1cc(-c2ccccc2O)nc(-c2[c-]c(-c3nc4c5ccccc5ccn4c3-c3ccccc3)cc3c2oc2ccccc23)c1.[Pt].

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

The InChIKey is CHAPFBCYESCSMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H30N3O2.Pt/c1-29-13-5-7-17-34(29)32-27-40(37-20-9-11-21-42(37)51)48-41(28-32)39-26-33(25-38-36-19-10-12-22-43(36)52-46(38)39)44-45(31-15-3-2-4-16-31)50-24-23-30-14-6-8-18-35(30)47(50)49-44;/h2-25,27-28,51H,1H3;/q-1;.

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

2-[4-(2-methylphenyl)-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 863.85 g/mol, XLogP of 11.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(2-methylphenyl)-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 169318232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).