2-[6-[3-[2-(1,3-benzothiazol-2-yl)-1H-carbazol-1-id-9-yl]benzene-2-id-1-yl]-2-pyridinyl]-1,3-oxazole;platinum(2+)

C33H18N4OPtS — CID 153285274

About 2-[6-[3-[2-(1,3-benzothiazol-2-yl)-1H-carbazol-1-id-9-yl]benzene-2-id-1-yl]-2-pyridinyl]-1,3-oxazole;platinum(2+)

2-[6-[3-[2-(1,3-benzothiazol-2-yl)-1H-carbazol-1-id-9-yl]benzene-2-id-1-yl]-2-pyridinyl]-1,3-oxazole;platinum(2+) (PubChem CID 153285274) has the molecular formula C33H18N4OPtS and a molecular weight of 713.68 g/mol. Its IUPAC name is 2-[6-[3-[2-(1,3-benzothiazol-2-yl)-1H-carbazol-1-id-9-yl]benzene-2-id-1-yl]-2-pyridinyl]-1,3-oxazole;platinum(2+).

Molecular Properties

• Compound Name: 2-[6-[3-[2-(1,3-benzothiazol-2-yl)-1H-carbazol-1-id-9-yl]benzene-2-id-1-yl]-2-pyridinyl]-1,3-oxazole;platinum(2+)
• PubChem CID: 153285274
• Molecular Formula: C33H18N4OPtS
• Molecular Weight: 713.68 g/mol
• Exact Mass: 713.08
• IUPAC Name: 2-[6-[3-[2-(1,3-benzothiazol-2-yl)-1H-carbazol-1-id-9-yl]benzene-2-id-1-yl]-2-pyridinyl]-1,3-oxazole;platinum(2+)
• SMILES: [Pt+2].[c-]1c(-c2cccc(-c3ncco3)n2)cccc1-n1c2[c-]c(-c3nc4ccccc4s3)ccc2c2ccccc21
• InChI: InChI=1S/C33H18N4OS.Pt/c1-3-13-29-24(9-1)25-16-15-22(33-36-27-10-2-4-14-31(27)39-33)20-30(25)37(29)23-8-5-7-21(19-23)26-11-6-12-28(35-26)32-34-17-18-38-32;/h1-18H;/q-2;+2
• InChIKey: OPLMETJUFCXVGR-UHFFFAOYSA-N
• XLogP: 8.38
• TPSA: 56.74 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	713.68
LogP ≤ 5	8.38
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-[6-[3-[2-(1,3-benzothiazol-2-yl)-1H-carbazol-1-id-9-yl]benzene-2-id-1-yl]-2-pyridinyl]-1,3-oxazole;platinum(2+)?

The IUPAC name of 2-[6-[3-[2-(1,3-benzothiazol-2-yl)-1H-carbazol-1-id-9-yl]benzene-2-id-1-yl]-2-pyridinyl]-1,3-oxazole;platinum(2+) (CID 153285274) is 2-[6-[3-[2-(1,3-benzothiazol-2-yl)-1H-carbazol-1-id-9-yl]benzene-2-id-1-yl]-2-pyridinyl]-1,3-oxazole;platinum(2+).

What is the SMILES notation for 2-[6-[3-[2-(1,3-benzothiazol-2-yl)-1H-carbazol-1-id-9-yl]benzene-2-id-1-yl]-2-pyridinyl]-1,3-oxazole;platinum(2+)?

The canonical SMILES for 2-[6-[3-[2-(1,3-benzothiazol-2-yl)-1H-carbazol-1-id-9-yl]benzene-2-id-1-yl]-2-pyridinyl]-1,3-oxazole;platinum(2+) is [Pt+2].[c-]1c(-c2cccc(-c3ncco3)n2)cccc1-n1c2[c-]c(-c3nc4ccccc4s3)ccc2c2ccccc21.

What is the InChIKey of 2-[6-[3-[2-(1,3-benzothiazol-2-yl)-1H-carbazol-1-id-9-yl]benzene-2-id-1-yl]-2-pyridinyl]-1,3-oxazole;platinum(2+)?

The InChIKey is OPLMETJUFCXVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H18N4OS.Pt/c1-3-13-29-24(9-1)25-16-15-22(33-36-27-10-2-4-14-31(27)39-33)20-30(25)37(29)23-8-5-7-21(19-23)26-11-6-12-28(35-26)32-34-17-18-38-32;/h1-18H;/q-2;+2.

What are the key properties of 2-[6-[3-[2-(1,3-benzothiazol-2-yl)-1H-carbazol-1-id-9-yl]benzene-2-id-1-yl]-2-pyridinyl]-1,3-oxazole;platinum(2+)?

2-[6-[3-[2-(1,3-benzothiazol-2-yl)-1H-carbazol-1-id-9-yl]benzene-2-id-1-yl]-2-pyridinyl]-1,3-oxazole;platinum(2+) has a molecular weight of 713.68 g/mol, XLogP of 8.38, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[3-[2-(1,3-benzothiazol-2-yl)-1H-carbazol-1-id-9-yl]benzene-2-id-1-yl]-2-pyridinyl]-1,3-oxazole;platinum(2+) is sourced from PubChem (CID 153285274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).