Platinum(2+);2-[[2-[(4-pyridin-2-yloxy-3H-dibenzothiophen-3-id-2-yl)oxy]-3H-dibenzothiophen-3-id-4-yl]oxy]pyridine

C₃₄H₁₈N₂O₃PtS₂ — CID 153431905

About Platinum(2+);2-[[2-[(4-pyridin-2-yloxy-3H-dibenzothiophen-3-id-2-yl)oxy]-3H-dibenzothiophen-3-id-4-yl]oxy]pyridine

Platinum(2+);2-[[2-[(4-pyridin-2-yloxy-3H-dibenzothiophen-3-id-2-yl)oxy]-3H-dibenzothiophen-3-id-4-yl]oxy]pyridine (PubChem CID 153431905) has the molecular formula C₃₄H₁₈N₂O₃PtS₂ and a molecular weight of 761.74 g/mol. Its IUPAC name is platinum(2+);2-[[2-[(4-pyridin-2-yloxy-3H-dibenzothiophen-3-id-2-yl)oxy]-3H-dibenzothiophen-3-id-4-yl]oxy]pyridine.

Molecular Properties

• Compound Name: Platinum(2+);2-[[2-[(4-pyridin-2-yloxy-3H-dibenzothiophen-3-id-2-yl)oxy]-3H-dibenzothiophen-3-id-4-yl]oxy]pyridine
• PubChem CID: 153431905
• Molecular Formula: C₃₄H₁₈N₂O₃PtS₂
• Molecular Weight: 761.74 g/mol
• Exact Mass: 761.04
• IUPAC Name: platinum(2+);2-[[2-[(4-pyridin-2-yloxy-3H-dibenzothiophen-3-id-2-yl)oxy]-3H-dibenzothiophen-3-id-4-yl]oxy]pyridine
• SMILES: [Pt+2].[c-]1c(Oc2[c-]c(Oc3ccccn3)c3sc4ccccc4c3c2)cc2c(sc3ccccc32)c1Oc1ccccn1
• InChI: InChI=1S/C34H18N2O3S2.Pt/c1-3-11-29-23(9-1)25-17-21(19-27(33(25)40-29)38-31-13-5-7-15-35-31)37-22-18-26-24-10-2-4-12-30(24)41-34(26)28(20-22)39-32-14-6-8-16-36-32;/h1-18H;/q-2;+2
• InChIKey: IYEIUWHOFTVZOX-UHFFFAOYSA-N
• XLogP: 10.19
• TPSA: 53.47 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	761.74
LogP ≤ 5	10.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

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-[[2-[(4-pyridin-2-yloxy-3H-dibenzothiophen-3-id-2-yl)oxy]-3H-dibenzothiophen-3-id-4-yl]oxy]pyridine?

The IUPAC name of Platinum(2+);2-[[2-[(4-pyridin-2-yloxy-3H-dibenzothiophen-3-id-2-yl)oxy]-3H-dibenzothiophen-3-id-4-yl]oxy]pyridine (CID 153431905) is platinum(2+);2-[[2-[(4-pyridin-2-yloxy-3H-dibenzothiophen-3-id-2-yl)oxy]-3H-dibenzothiophen-3-id-4-yl]oxy]pyridine.

What is the SMILES notation for Platinum(2+);2-[[2-[(4-pyridin-2-yloxy-3H-dibenzothiophen-3-id-2-yl)oxy]-3H-dibenzothiophen-3-id-4-yl]oxy]pyridine?

The canonical SMILES for Platinum(2+);2-[[2-[(4-pyridin-2-yloxy-3H-dibenzothiophen-3-id-2-yl)oxy]-3H-dibenzothiophen-3-id-4-yl]oxy]pyridine is [Pt+2].[c-]1c(Oc2[c-]c(Oc3ccccn3)c3sc4ccccc4c3c2)cc2c(sc3ccccc32)c1Oc1ccccn1.

What is the InChIKey of Platinum(2+);2-[[2-[(4-pyridin-2-yloxy-3H-dibenzothiophen-3-id-2-yl)oxy]-3H-dibenzothiophen-3-id-4-yl]oxy]pyridine?

The InChIKey is IYEIUWHOFTVZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H18N2O3S2.Pt/c1-3-11-29-23(9-1)25-17-21(19-27(33(25)40-29)38-31-13-5-7-15-35-31)37-22-18-26-24-10-2-4-12-30(24)41-34(26)28(20-22)39-32-14-6-8-16-36-32;/h1-18H;/q-2;+2.

What are the key properties of Platinum(2+);2-[[2-[(4-pyridin-2-yloxy-3H-dibenzothiophen-3-id-2-yl)oxy]-3H-dibenzothiophen-3-id-4-yl]oxy]pyridine?

Platinum(2+);2-[[2-[(4-pyridin-2-yloxy-3H-dibenzothiophen-3-id-2-yl)oxy]-3H-dibenzothiophen-3-id-4-yl]oxy]pyridine has a molecular weight of 761.74 g/mol, XLogP of 10.19, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for Platinum(2+);2-[[2-[(4-pyridin-2-yloxy-3H-dibenzothiophen-3-id-2-yl)oxy]-3H-dibenzothiophen-3-id-4-yl]oxy]pyridine is sourced from PubChem (CID 153431905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 153431905 — identifiers, structure, computed properties (public domain)

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