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

C33H18N4OPtS — CID 153285061

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

2-[2-(1,3-benzothiazol-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-4-yl]-1,3-oxazole;platinum(2+) (PubChem CID 153285061) has the molecular formula C33H18N4OPtS and a molecular weight of 713.68 g/mol. Its IUPAC name is 2-[2-(1,3-benzothiazol-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-4-yl]-1,3-oxazole;platinum(2+).

Molecular Properties

• Compound Name: 2-[2-(1,3-benzothiazol-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-4-yl]-1,3-oxazole;platinum(2+)
• PubChem CID: 153285061
• Molecular Formula: C33H18N4OPtS
• Molecular Weight: 713.68 g/mol
• Exact Mass: 713.08
• IUPAC Name: 2-[2-(1,3-benzothiazol-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-4-yl]-1,3-oxazole;platinum(2+)
• SMILES: [Pt+2].[c-]1c(-c2ccccn2)cccc1-n1c2[c-]c(-c3nc4ccccc4s3)cc(-c3ncco3)c2c2ccccc21
• InChI: InChI=1S/C33H18N4OS.Pt/c1-3-13-28-24(10-1)31-25(32-35-16-17-38-32)19-22(33-36-27-12-2-4-14-30(27)39-33)20-29(31)37(28)23-9-7-8-21(18-23)26-11-5-6-15-34-26;/h1-17,19H;/q-2;+2
• InChIKey: SWPUXDOIYLEVKJ-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-[2-(1,3-benzothiazol-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-4-yl]-1,3-oxazole;platinum(2+)?

The IUPAC name of 2-[2-(1,3-benzothiazol-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-4-yl]-1,3-oxazole;platinum(2+) (CID 153285061) is 2-[2-(1,3-benzothiazol-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-4-yl]-1,3-oxazole;platinum(2+).

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

The canonical SMILES for 2-[2-(1,3-benzothiazol-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-4-yl]-1,3-oxazole;platinum(2+) is [Pt+2].[c-]1c(-c2ccccn2)cccc1-n1c2[c-]c(-c3nc4ccccc4s3)cc(-c3ncco3)c2c2ccccc21.

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

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

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

2-[2-(1,3-benzothiazol-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-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-[2-(1,3-benzothiazol-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-4-yl]-1,3-oxazole;platinum(2+) is sourced from PubChem (CID 153285061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).