9-phenyl-3,6-dipyridin-2-yloxy-4,5-dihydrocarbazole-4,5-diide;platinum(2+)

C28H17N3O2Pt — CID 153433511

About 9-phenyl-3,6-dipyridin-2-yloxy-4,5-dihydrocarbazole-4,5-diide;platinum(2+)

9-phenyl-3,6-dipyridin-2-yloxy-4,5-dihydrocarbazole-4,5-diide;platinum(2+) (PubChem CID 153433511) has the molecular formula C28H17N3O2Pt and a molecular weight of 622.54 g/mol. Its IUPAC name is 9-phenyl-3,6-dipyridin-2-yloxy-4,5-dihydrocarbazole-4,5-diide;platinum(2+).

Molecular Properties

• Compound Name: 9-phenyl-3,6-dipyridin-2-yloxy-4,5-dihydrocarbazole-4,5-diide;platinum(2+)
• PubChem CID: 153433511
• Molecular Formula: C28H17N3O2Pt
• Molecular Weight: 622.54 g/mol
• Exact Mass: 622.10
• IUPAC Name: 9-phenyl-3,6-dipyridin-2-yloxy-4,5-dihydrocarbazole-4,5-diide;platinum(2+)
• SMILES: [Pt+2].[c-]1c(Oc2ccccn2)ccc2c1c1[c-]c(Oc3ccccn3)ccc1n2-c1ccccc1
• InChI: InChI=1S/C28H17N3O2.Pt/c1-2-8-20(9-3-1)31-25-14-12-21(32-27-10-4-6-16-29-27)18-23(25)24-19-22(13-15-26(24)31)33-28-11-5-7-17-30-28;/h1-17H;/q-2;+2
• InChIKey: XNGWANYQAJFUSD-UHFFFAOYSA-N
• XLogP: 6.76
• TPSA: 49.17 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	622.54
LogP ≤ 5	6.76
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 9-phenyl-3,6-dipyridin-2-yloxy-4,5-dihydrocarbazole-4,5-diide;platinum(2+)?

The IUPAC name of 9-phenyl-3,6-dipyridin-2-yloxy-4,5-dihydrocarbazole-4,5-diide;platinum(2+) (CID 153433511) is 9-phenyl-3,6-dipyridin-2-yloxy-4,5-dihydrocarbazole-4,5-diide;platinum(2+).

What is the SMILES notation for 9-phenyl-3,6-dipyridin-2-yloxy-4,5-dihydrocarbazole-4,5-diide;platinum(2+)?

The canonical SMILES for 9-phenyl-3,6-dipyridin-2-yloxy-4,5-dihydrocarbazole-4,5-diide;platinum(2+) is [Pt+2].[c-]1c(Oc2ccccn2)ccc2c1c1[c-]c(Oc3ccccn3)ccc1n2-c1ccccc1.

What is the InChIKey of 9-phenyl-3,6-dipyridin-2-yloxy-4,5-dihydrocarbazole-4,5-diide;platinum(2+)?

The InChIKey is XNGWANYQAJFUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H17N3O2.Pt/c1-2-8-20(9-3-1)31-25-14-12-21(32-27-10-4-6-16-29-27)18-23(25)24-19-22(13-15-26(24)31)33-28-11-5-7-17-30-28;/h1-17H;/q-2;+2.

What are the key properties of 9-phenyl-3,6-dipyridin-2-yloxy-4,5-dihydrocarbazole-4,5-diide;platinum(2+)?

9-phenyl-3,6-dipyridin-2-yloxy-4,5-dihydrocarbazole-4,5-diide;platinum(2+) has a molecular weight of 622.54 g/mol, XLogP of 6.76, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-phenyl-3,6-dipyridin-2-yloxy-4,5-dihydrocarbazole-4,5-diide;platinum(2+) is sourced from PubChem (CID 153433511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).