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

C42H29N3OPt — CID 162461744

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

9-[3-[3-(4-methyl-2-pyridinyl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-10-phenyl-9-pyridin-2-ylacridine;platinum(2+) (PubChem CID 162461744) has the molecular formula C42H29N3OPt and a molecular weight of 786.79 g/mol. Its IUPAC name is 9-[3-[3-(4-methyl-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-methyl-2-pyridinyl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-10-phenyl-9-pyridin-2-ylacridine;platinum(2+)
• PubChem CID: 162461744
• Molecular Formula: C42H29N3OPt
• Molecular Weight: 786.79 g/mol
• Exact Mass: 786.20
• IUPAC Name: 9-[3-[3-(4-methyl-2-pyridinyl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-10-phenyl-9-pyridin-2-ylacridine;platinum(2+)
• SMILES: Cc1ccnc(-c2[c-]c(Oc3[c-]c(C4(c5ccccn5)c5ccccc5N(c5ccccc5)c5ccccc54)ccc3)ccc2)c1.[Pt+2]
• InChI: InChI=1S/C42H29N3O.Pt/c1-30-24-26-43-38(27-30)31-13-11-17-34(28-31)46-35-18-12-14-32(29-35)42(41-23-9-10-25-44-41)36-19-5-7-21-39(36)45(33-15-3-2-4-16-33)40-22-8-6-20-37(40)42;/h2-27H,1H3;/q-2;+2
• InChIKey: ZQDPGTQCSWRHNZ-UHFFFAOYSA-N
• XLogP: 10.01
• TPSA: 38.25 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	786.79
LogP ≤ 5	10.01
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-methyl-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-methyl-2-pyridinyl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-10-phenyl-9-pyridin-2-ylacridine;platinum(2+) (CID 162461744) is 9-[3-[3-(4-methyl-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-methyl-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-methyl-2-pyridinyl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-10-phenyl-9-pyridin-2-ylacridine;platinum(2+) is Cc1ccnc(-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-methyl-2-pyridinyl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-10-phenyl-9-pyridin-2-ylacridine;platinum(2+)?

The InChIKey is ZQDPGTQCSWRHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H29N3O.Pt/c1-30-24-26-43-38(27-30)31-13-11-17-34(28-31)46-35-18-12-14-32(29-35)42(41-23-9-10-25-44-41)36-19-5-7-21-39(36)45(33-15-3-2-4-16-33)40-22-8-6-20-37(40)42;/h2-27H,1H3;/q-2;+2.

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

9-[3-[3-(4-methyl-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 786.79 g/mol, XLogP of 10.01, 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-methyl-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 162461744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).