10-phenyl-9-[3-(3-pyrazol-1-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-9-pyridin-2-ylacridine;platinum(2+)

C39H26N4OPt — CID 162461925

About 10-phenyl-9-[3-(3-pyrazol-1-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-9-pyridin-2-ylacridine;platinum(2+)

10-phenyl-9-[3-(3-pyrazol-1-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-9-pyridin-2-ylacridine;platinum(2+) (PubChem CID 162461925) has the molecular formula C39H26N4OPt and a molecular weight of 761.74 g/mol. Its IUPAC name is 10-phenyl-9-[3-(3-pyrazol-1-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-9-pyridin-2-ylacridine;platinum(2+).

Molecular Properties

• Compound Name: 10-phenyl-9-[3-(3-pyrazol-1-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-9-pyridin-2-ylacridine;platinum(2+)
• PubChem CID: 162461925
• Molecular Formula: C39H26N4OPt
• Molecular Weight: 761.74 g/mol
• Exact Mass: 761.18
• IUPAC Name: 10-phenyl-9-[3-(3-pyrazol-1-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-9-pyridin-2-ylacridine;platinum(2+)
• SMILES: [Pt+2].[c-]1c(Oc2[c-]c(C3(c4ccccn4)c4ccccc4N(c4ccccc4)c4ccccc43)ccc2)cccc1-n1cccn1
• InChI: InChI=1S/C39H26N4O.Pt/c1-2-14-30(15-3-1)43-36-21-6-4-19-34(36)39(38-23-8-9-24-40-38,35-20-5-7-22-37(35)43)29-13-10-17-32(27-29)44-33-18-11-16-31(28-33)42-26-12-25-41-42;/h1-26H;/q-2;+2
• InChIKey: QSSKELOOCJRVKP-UHFFFAOYSA-N
• XLogP: 8.82
• TPSA: 43.18 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	761.74
LogP ≤ 5	8.82
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 10-phenyl-9-[3-(3-pyrazol-1-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-9-pyridin-2-ylacridine;platinum(2+)?

The IUPAC name of 10-phenyl-9-[3-(3-pyrazol-1-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-9-pyridin-2-ylacridine;platinum(2+) (CID 162461925) is 10-phenyl-9-[3-(3-pyrazol-1-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-9-pyridin-2-ylacridine;platinum(2+).

What is the SMILES notation for 10-phenyl-9-[3-(3-pyrazol-1-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-9-pyridin-2-ylacridine;platinum(2+)?

The canonical SMILES for 10-phenyl-9-[3-(3-pyrazol-1-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-9-pyridin-2-ylacridine;platinum(2+) is [Pt+2].[c-]1c(Oc2[c-]c(C3(c4ccccn4)c4ccccc4N(c4ccccc4)c4ccccc43)ccc2)cccc1-n1cccn1.

What is the InChIKey of 10-phenyl-9-[3-(3-pyrazol-1-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-9-pyridin-2-ylacridine;platinum(2+)?

The InChIKey is QSSKELOOCJRVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H26N4O.Pt/c1-2-14-30(15-3-1)43-36-21-6-4-19-34(36)39(38-23-8-9-24-40-38,35-20-5-7-22-37(35)43)29-13-10-17-32(27-29)44-33-18-11-16-31(28-33)42-26-12-25-41-42;/h1-26H;/q-2;+2.

What are the key properties of 10-phenyl-9-[3-(3-pyrazol-1-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-9-pyridin-2-ylacridine;platinum(2+)?

10-phenyl-9-[3-(3-pyrazol-1-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-9-pyridin-2-ylacridine;platinum(2+) has a molecular weight of 761.74 g/mol, XLogP of 8.82, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 10-phenyl-9-[3-(3-pyrazol-1-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-9-pyridin-2-ylacridine;platinum(2+) is sourced from PubChem (CID 162461925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).