9-(5,6-difluoro-2-pyridinyl)-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+)

C28H15F2N3OPt — CID 153421046

About 9-(5,6-difluoro-2-pyridinyl)-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+)

9-(5,6-difluoro-2-pyridinyl)-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153421046) has the molecular formula C28H15F2N3OPt and a molecular weight of 642.52 g/mol. Its IUPAC name is 9-(5,6-difluoro-2-pyridinyl)-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 9-(5,6-difluoro-2-pyridinyl)-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153421046
• Molecular Formula: C28H15F2N3OPt
• Molecular Weight: 642.52 g/mol
• Exact Mass: 642.08
• IUPAC Name: 9-(5,6-difluoro-2-pyridinyl)-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+)
• SMILES: Fc1ccc(-n2c3[c-]c(-c4[c-]c(Oc5ccccn5)ccc4)ccc3c3ccccc32)nc1F.[Pt+2]
• InChI: InChI=1S/C28H15F2N3O.Pt/c29-23-13-14-26(32-28(23)30)33-24-9-2-1-8-21(24)22-12-11-19(17-25(22)33)18-6-5-7-20(16-18)34-27-10-3-4-15-31-27;/h1-15H;/q-2;+2
• InChIKey: ZGTLWBWXTOXQPN-UHFFFAOYSA-N
• XLogP: 6.91
• TPSA: 39.94 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	642.52
LogP ≤ 5	6.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-(5,6-difluoro-2-pyridinyl)-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 9-(5,6-difluoro-2-pyridinyl)-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+) (CID 153421046) is 9-(5,6-difluoro-2-pyridinyl)-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+).

What is the SMILES notation for 9-(5,6-difluoro-2-pyridinyl)-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+)?

The canonical SMILES for 9-(5,6-difluoro-2-pyridinyl)-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+) is Fc1ccc(-n2c3[c-]c(-c4[c-]c(Oc5ccccn5)ccc4)ccc3c3ccccc32)nc1F.[Pt+2].

What is the InChIKey of 9-(5,6-difluoro-2-pyridinyl)-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+)?

The InChIKey is ZGTLWBWXTOXQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H15F2N3O.Pt/c29-23-13-14-26(32-28(23)30)33-24-9-2-1-8-21(24)22-12-11-19(17-25(22)33)18-6-5-7-20(16-18)34-27-10-3-4-15-31-27;/h1-15H;/q-2;+2.

What are the key properties of 9-(5,6-difluoro-2-pyridinyl)-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+)?

9-(5,6-difluoro-2-pyridinyl)-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 642.52 g/mol, XLogP of 6.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(5,6-difluoro-2-pyridinyl)-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153421046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).