9-[3-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-10-phenyl-9-pyridin-2-ylacridine;platinum(2+)

C45H35N3OPt — CID 162461729

About 9-[3-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-10-phenyl-9-pyridin-2-ylacridine;platinum(2+)

9-[3-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-10-phenyl-9-pyridin-2-ylacridine;platinum(2+) (PubChem CID 162461729) has the molecular formula C45H35N3OPt and a molecular weight of 828.87 g/mol. Its IUPAC name is 9-[3-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-10-phenyl-9-pyridin-2-ylacridine;platinum(2+).

Molecular Properties

• Compound Name: 9-[3-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-10-phenyl-9-pyridin-2-ylacridine;platinum(2+)
• PubChem CID: 162461729
• Molecular Formula: C45H35N3OPt
• Molecular Weight: 828.87 g/mol
• Exact Mass: 828.24
• IUPAC Name: 9-[3-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-10-phenyl-9-pyridin-2-ylacridine;platinum(2+)
• SMILES: CC(C)(C)c1ccnc(-c2[c-]c(Oc3[c-]c(C4(c5ccccn5)c5ccccc5N(c5ccccc5)c5ccccc54)ccc3)ccc2)c1.[Pt+2]
• InChI: InChI=1S/C45H35N3O.Pt/c1-44(2,3)33-26-28-46-40(31-33)32-15-13-19-36(29-32)49-37-20-14-16-34(30-37)45(43-25-11-12-27-47-43)38-21-7-9-23-41(38)48(35-17-5-4-6-18-35)42-24-10-8-22-39(42)45;/h4-28,31H,1-3H3;/q-2;+2
• InChIKey: SZRMQHSQRIRDIG-UHFFFAOYSA-N
• XLogP: 11.00
• TPSA: 38.25 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	828.87
LogP ≤ 5	11.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-[3-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-10-phenyl-9-pyridin-2-ylacridine;platinum(2+)?

The IUPAC name of 9-[3-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-10-phenyl-9-pyridin-2-ylacridine;platinum(2+) (CID 162461729) is 9-[3-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-10-phenyl-9-pyridin-2-ylacridine;platinum(2+).

What is the SMILES notation for 9-[3-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-10-phenyl-9-pyridin-2-ylacridine;platinum(2+)?

The canonical SMILES for 9-[3-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-10-phenyl-9-pyridin-2-ylacridine;platinum(2+) is CC(C)(C)c1ccnc(-c2[c-]c(Oc3[c-]c(C4(c5ccccn5)c5ccccc5N(c5ccccc5)c5ccccc54)ccc3)ccc2)c1.[Pt+2].

What is the InChIKey of 9-[3-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-10-phenyl-9-pyridin-2-ylacridine;platinum(2+)?

The InChIKey is SZRMQHSQRIRDIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H35N3O.Pt/c1-44(2,3)33-26-28-46-40(31-33)32-15-13-19-36(29-32)49-37-20-14-16-34(30-37)45(43-25-11-12-27-47-43)38-21-7-9-23-41(38)48(35-17-5-4-6-18-35)42-24-10-8-22-39(42)45;/h4-28,31H,1-3H3;/q-2;+2.

What are the key properties of 9-[3-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-10-phenyl-9-pyridin-2-ylacridine;platinum(2+)?

9-[3-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-10-phenyl-9-pyridin-2-ylacridine;platinum(2+) has a molecular weight of 828.87 g/mol, XLogP of 11.00, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[3-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-10-phenyl-9-pyridin-2-ylacridine;platinum(2+) is sourced from PubChem (CID 162461729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).