2-[9-[3-[3-(4-phenyltriazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]thioxanthen-9-yl]pyridine;platinum(2+)

C38H24N4OPtS — CID 162461716

About 2-[9-[3-[3-(4-phenyltriazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]thioxanthen-9-yl]pyridine;platinum(2+)

2-[9-[3-[3-(4-phenyltriazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]thioxanthen-9-yl]pyridine;platinum(2+) (PubChem CID 162461716) has the molecular formula C38H24N4OPtS and a molecular weight of 779.78 g/mol. Its IUPAC name is 2-[9-[3-[3-(4-phenyltriazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]thioxanthen-9-yl]pyridine;platinum(2+).

Molecular Properties

• Compound Name: 2-[9-[3-[3-(4-phenyltriazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]thioxanthen-9-yl]pyridine;platinum(2+)
• PubChem CID: 162461716
• Molecular Formula: C38H24N4OPtS
• Molecular Weight: 779.78 g/mol
• Exact Mass: 779.13
• IUPAC Name: 2-[9-[3-[3-(4-phenyltriazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]thioxanthen-9-yl]pyridine;platinum(2+)
• SMILES: [Pt+2].[c-]1c(Oc2[c-]c(C3(c4ccccn4)c4ccccc4Sc4ccccc43)ccc2)cccc1-n1ncc(-c2ccccc2)n1
• InChI: InChI=1S/C38H24N4OS.Pt/c1-2-12-27(13-3-1)34-26-40-42(41-34)29-15-11-17-31(25-29)43-30-16-10-14-28(24-30)38(37-22-8-9-23-39-37)32-18-4-6-20-35(32)44-36-21-7-5-19-33(36)38;/h1-23,26H;/q-2;+2
• InChIKey: QEWKTVNENQIILE-UHFFFAOYSA-N
• XLogP: 8.57
• TPSA: 52.83 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	779.78
LogP ≤ 5	8.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[9-[3-[3-(4-phenyltriazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]thioxanthen-9-yl]pyridine;platinum(2+)?

The IUPAC name of 2-[9-[3-[3-(4-phenyltriazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]thioxanthen-9-yl]pyridine;platinum(2+) (CID 162461716) is 2-[9-[3-[3-(4-phenyltriazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]thioxanthen-9-yl]pyridine;platinum(2+).

What is the SMILES notation for 2-[9-[3-[3-(4-phenyltriazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]thioxanthen-9-yl]pyridine;platinum(2+)?

The canonical SMILES for 2-[9-[3-[3-(4-phenyltriazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]thioxanthen-9-yl]pyridine;platinum(2+) is [Pt+2].[c-]1c(Oc2[c-]c(C3(c4ccccn4)c4ccccc4Sc4ccccc43)ccc2)cccc1-n1ncc(-c2ccccc2)n1.

What is the InChIKey of 2-[9-[3-[3-(4-phenyltriazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]thioxanthen-9-yl]pyridine;platinum(2+)?

The InChIKey is QEWKTVNENQIILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24N4OS.Pt/c1-2-12-27(13-3-1)34-26-40-42(41-34)29-15-11-17-31(25-29)43-30-16-10-14-28(24-30)38(37-22-8-9-23-39-37)32-18-4-6-20-35(32)44-36-21-7-5-19-33(36)38;/h1-23,26H;/q-2;+2.

What are the key properties of 2-[9-[3-[3-(4-phenyltriazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]thioxanthen-9-yl]pyridine;platinum(2+)?

2-[9-[3-[3-(4-phenyltriazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]thioxanthen-9-yl]pyridine;platinum(2+) has a molecular weight of 779.78 g/mol, XLogP of 8.57, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[9-[3-[3-(4-phenyltriazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]thioxanthen-9-yl]pyridine;platinum(2+) is sourced from PubChem (CID 162461716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).