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

C33H18N4OPtS — CID 153285352

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

2-[4-[2-(1,3-benzothiazol-2-yl)-1H-carbazol-1-id-9-yl]-2-pyridin-2-ylbenzene-3-id-1-yl]-1,3-oxazole;platinum(2+) (PubChem CID 153285352) has the molecular formula C33H18N4OPtS and a molecular weight of 713.68 g/mol. Its IUPAC name is 2-[4-[2-(1,3-benzothiazol-2-yl)-1H-carbazol-1-id-9-yl]-2-pyridin-2-ylbenzene-3-id-1-yl]-1,3-oxazole;platinum(2+).

Molecular Properties

• Compound Name: 2-[4-[2-(1,3-benzothiazol-2-yl)-1H-carbazol-1-id-9-yl]-2-pyridin-2-ylbenzene-3-id-1-yl]-1,3-oxazole;platinum(2+)
• PubChem CID: 153285352
• Molecular Formula: C33H18N4OPtS
• Molecular Weight: 713.68 g/mol
• Exact Mass: 713.08
• IUPAC Name: 2-[4-[2-(1,3-benzothiazol-2-yl)-1H-carbazol-1-id-9-yl]-2-pyridin-2-ylbenzene-3-id-1-yl]-1,3-oxazole;platinum(2+)
• SMILES: [Pt+2].[c-]1c(-n2c3[c-]c(-c4nc5ccccc5s4)ccc3c3ccccc32)ccc(-c2ncco2)c1-c1ccccn1
• InChI: InChI=1S/C33H18N4OS.Pt/c1-3-10-29-23(7-1)24-14-12-21(33-36-28-9-2-4-11-31(28)39-33)19-30(24)37(29)22-13-15-25(32-35-17-18-38-32)26(20-22)27-8-5-6-16-34-27;/h1-18H;/q-2;+2
• InChIKey: IQYJTWARFJQGQT-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-[4-[2-(1,3-benzothiazol-2-yl)-1H-carbazol-1-id-9-yl]-2-pyridin-2-ylbenzene-3-id-1-yl]-1,3-oxazole;platinum(2+)?

The IUPAC name of 2-[4-[2-(1,3-benzothiazol-2-yl)-1H-carbazol-1-id-9-yl]-2-pyridin-2-ylbenzene-3-id-1-yl]-1,3-oxazole;platinum(2+) (CID 153285352) is 2-[4-[2-(1,3-benzothiazol-2-yl)-1H-carbazol-1-id-9-yl]-2-pyridin-2-ylbenzene-3-id-1-yl]-1,3-oxazole;platinum(2+).

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

The canonical SMILES for 2-[4-[2-(1,3-benzothiazol-2-yl)-1H-carbazol-1-id-9-yl]-2-pyridin-2-ylbenzene-3-id-1-yl]-1,3-oxazole;platinum(2+) is [Pt+2].[c-]1c(-n2c3[c-]c(-c4nc5ccccc5s4)ccc3c3ccccc32)ccc(-c2ncco2)c1-c1ccccn1.

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

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

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

2-[4-[2-(1,3-benzothiazol-2-yl)-1H-carbazol-1-id-9-yl]-2-pyridin-2-ylbenzene-3-id-1-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-[4-[2-(1,3-benzothiazol-2-yl)-1H-carbazol-1-id-9-yl]-2-pyridin-2-ylbenzene-3-id-1-yl]-1,3-oxazole;platinum(2+) is sourced from PubChem (CID 153285352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).