platinum(2+);2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-9-pyrimidin-4-yl-1H-carbazol-1-ide

C27H16N4OPt — CID 153421624

About platinum(2+);2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-9-pyrimidin-4-yl-1H-carbazol-1-ide

platinum(2+);2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-9-pyrimidin-4-yl-1H-carbazol-1-ide (PubChem CID 153421624) has the molecular formula C27H16N4OPt and a molecular weight of 607.53 g/mol. Its IUPAC name is platinum(2+);2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-9-pyrimidin-4-yl-1H-carbazol-1-ide.

Molecular Properties

• Compound Name: platinum(2+);2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-9-pyrimidin-4-yl-1H-carbazol-1-ide
• PubChem CID: 153421624
• Molecular Formula: C27H16N4OPt
• Molecular Weight: 607.53 g/mol
• Exact Mass: 607.10
• IUPAC Name: platinum(2+);2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-9-pyrimidin-4-yl-1H-carbazol-1-ide
• SMILES: [Pt+2].[c-]1c(Oc2ccccn2)cccc1-c1[c-]c2c(cc1)c1ccccc1n2-c1ccncn1
• InChI: InChI=1S/C27H16N4O.Pt/c1-2-9-24-22(8-1)23-12-11-20(17-25(23)31(24)26-13-15-28-18-30-26)19-6-5-7-21(16-19)32-27-10-3-4-14-29-27;/h1-15,18H;/q-2;+2
• InChIKey: OZSPBWGBIGJBLI-UHFFFAOYSA-N
• XLogP: 6.03
• TPSA: 52.83 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	607.53
LogP ≤ 5	6.03
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 platinum(2+);2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-9-pyrimidin-4-yl-1H-carbazol-1-ide?

The IUPAC name of platinum(2+);2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-9-pyrimidin-4-yl-1H-carbazol-1-ide (CID 153421624) is platinum(2+);2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-9-pyrimidin-4-yl-1H-carbazol-1-ide.

What is the SMILES notation for platinum(2+);2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-9-pyrimidin-4-yl-1H-carbazol-1-ide?

The canonical SMILES for platinum(2+);2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-9-pyrimidin-4-yl-1H-carbazol-1-ide is [Pt+2].[c-]1c(Oc2ccccn2)cccc1-c1[c-]c2c(cc1)c1ccccc1n2-c1ccncn1.

What is the InChIKey of platinum(2+);2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-9-pyrimidin-4-yl-1H-carbazol-1-ide?

The InChIKey is OZSPBWGBIGJBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H16N4O.Pt/c1-2-9-24-22(8-1)23-12-11-20(17-25(23)31(24)26-13-15-28-18-30-26)19-6-5-7-21(16-19)32-27-10-3-4-14-29-27;/h1-15,18H;/q-2;+2.

What are the key properties of platinum(2+);2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-9-pyrimidin-4-yl-1H-carbazol-1-ide?

platinum(2+);2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-9-pyrimidin-4-yl-1H-carbazol-1-ide has a molecular weight of 607.53 g/mol, XLogP of 6.03, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for platinum(2+);2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-9-pyrimidin-4-yl-1H-carbazol-1-ide is sourced from PubChem (CID 153421624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).