2-[7-(1,3-benzothiazol-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-8H-carbazol-8-id-4-yl]-1,3-oxazole;platinum(2+)

C33H18N4OPtS — CID 153285346

About 2-[7-(1,3-benzothiazol-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-8H-carbazol-8-id-4-yl]-1,3-oxazole;platinum(2+)

2-[7-(1,3-benzothiazol-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-8H-carbazol-8-id-4-yl]-1,3-oxazole;platinum(2+) (PubChem CID 153285346) has the molecular formula C33H18N4OPtS and a molecular weight of 713.68 g/mol. Its IUPAC name is 2-[7-(1,3-benzothiazol-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-8H-carbazol-8-id-4-yl]-1,3-oxazole;platinum(2+).

Molecular Properties

• Compound Name: 2-[7-(1,3-benzothiazol-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-8H-carbazol-8-id-4-yl]-1,3-oxazole;platinum(2+)
• PubChem CID: 153285346
• Molecular Formula: C33H18N4OPtS
• Molecular Weight: 713.68 g/mol
• Exact Mass: 713.08
• IUPAC Name: 2-[7-(1,3-benzothiazol-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-8H-carbazol-8-id-4-yl]-1,3-oxazole;platinum(2+)
• SMILES: [Pt+2].[c-]1c(-c2ccccn2)cccc1-n1c2[c-]c(-c3nc4ccccc4s3)ccc2c2c(-c3ncco3)cccc21
• InChI: InChI=1S/C33H18N4OS.Pt/c1-2-13-30-27(11-1)36-33(39-30)22-14-15-24-29(20-22)37(23-8-5-7-21(19-23)26-10-3-4-16-34-26)28-12-6-9-25(31(24)28)32-35-17-18-38-32;/h1-18H;/q-2;+2
• InChIKey: AKNUUXMOCWAASM-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-[7-(1,3-benzothiazol-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-8H-carbazol-8-id-4-yl]-1,3-oxazole;platinum(2+)?

The IUPAC name of 2-[7-(1,3-benzothiazol-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-8H-carbazol-8-id-4-yl]-1,3-oxazole;platinum(2+) (CID 153285346) is 2-[7-(1,3-benzothiazol-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-8H-carbazol-8-id-4-yl]-1,3-oxazole;platinum(2+).

What is the SMILES notation for 2-[7-(1,3-benzothiazol-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-8H-carbazol-8-id-4-yl]-1,3-oxazole;platinum(2+)?

The canonical SMILES for 2-[7-(1,3-benzothiazol-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-8H-carbazol-8-id-4-yl]-1,3-oxazole;platinum(2+) is [Pt+2].[c-]1c(-c2ccccn2)cccc1-n1c2[c-]c(-c3nc4ccccc4s3)ccc2c2c(-c3ncco3)cccc21.

What is the InChIKey of 2-[7-(1,3-benzothiazol-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-8H-carbazol-8-id-4-yl]-1,3-oxazole;platinum(2+)?

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

What are the key properties of 2-[7-(1,3-benzothiazol-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-8H-carbazol-8-id-4-yl]-1,3-oxazole;platinum(2+)?

2-[7-(1,3-benzothiazol-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-8H-carbazol-8-id-4-yl]-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-[7-(1,3-benzothiazol-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-8H-carbazol-8-id-4-yl]-1,3-oxazole;platinum(2+) is sourced from PubChem (CID 153285346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).