platinum(2+);2-(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy-5,6-dihydro-1H-benzimidazolo[2,1-a]isoquinolin-1-ide

C26H17N3O2Pt — CID 162492167

About platinum(2+);2-(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy-5,6-dihydro-1H-benzimidazolo[2,1-a]isoquinolin-1-ide

platinum(2+);2-(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy-5,6-dihydro-1H-benzimidazolo[2,1-a]isoquinolin-1-ide (PubChem CID 162492167) has the molecular formula C26H17N3O2Pt and a molecular weight of 598.52 g/mol. Its IUPAC name is platinum(2+);2-(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy-5,6-dihydro-1H-benzimidazolo[2,1-a]isoquinolin-1-ide.

Molecular Properties

• Compound Name: platinum(2+);2-(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy-5,6-dihydro-1H-benzimidazolo[2,1-a]isoquinolin-1-ide
• PubChem CID: 162492167
• Molecular Formula: C26H17N3O2Pt
• Molecular Weight: 598.52 g/mol
• Exact Mass: 598.10
• IUPAC Name: platinum(2+);2-(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy-5,6-dihydro-1H-benzimidazolo[2,1-a]isoquinolin-1-ide
• SMILES: [Pt+2].[c-]1c(Oc2[c-]c3c(cc2)CCn2c-3nc3ccccc32)cccc1Oc1ccccn1
• InChI: InChI=1S/C26H17N3O2.Pt/c1-2-9-24-23(8-1)28-26-22-17-21(12-11-18(22)13-15-29(24)26)30-19-6-5-7-20(16-19)31-25-10-3-4-14-27-25;/h1-12,14H,13,15H2;/q-2;+2
• InChIKey: YDKCYQCJZZJPMW-UHFFFAOYSA-N
• XLogP: 5.84
• TPSA: 49.17 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	598.52
LogP ≤ 5	5.84
H-Bond Donors ≤ 5	0
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 platinum(2+);2-(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy-5,6-dihydro-1H-benzimidazolo[2,1-a]isoquinolin-1-ide?

The IUPAC name of platinum(2+);2-(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy-5,6-dihydro-1H-benzimidazolo[2,1-a]isoquinolin-1-ide (CID 162492167) is platinum(2+);2-(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy-5,6-dihydro-1H-benzimidazolo[2,1-a]isoquinolin-1-ide.

What is the SMILES notation for platinum(2+);2-(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy-5,6-dihydro-1H-benzimidazolo[2,1-a]isoquinolin-1-ide?

The canonical SMILES for platinum(2+);2-(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy-5,6-dihydro-1H-benzimidazolo[2,1-a]isoquinolin-1-ide is [Pt+2].[c-]1c(Oc2[c-]c3c(cc2)CCn2c-3nc3ccccc32)cccc1Oc1ccccn1.

What is the InChIKey of platinum(2+);2-(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy-5,6-dihydro-1H-benzimidazolo[2,1-a]isoquinolin-1-ide?

The InChIKey is YDKCYQCJZZJPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17N3O2.Pt/c1-2-9-24-23(8-1)28-26-22-17-21(12-11-18(22)13-15-29(24)26)30-19-6-5-7-20(16-19)31-25-10-3-4-14-27-25;/h1-12,14H,13,15H2;/q-2;+2.

What are the key properties of platinum(2+);2-(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy-5,6-dihydro-1H-benzimidazolo[2,1-a]isoquinolin-1-ide?

platinum(2+);2-(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy-5,6-dihydro-1H-benzimidazolo[2,1-a]isoquinolin-1-ide has a molecular weight of 598.52 g/mol, XLogP of 5.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for platinum(2+);2-(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy-5,6-dihydro-1H-benzimidazolo[2,1-a]isoquinolin-1-ide is sourced from PubChem (CID 162492167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).