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

C33H18N4OPtS — CID 153285230

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

platinum(2+);2-[2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazol-7-yl]-1,3-oxazole (PubChem CID 153285230) has the molecular formula C33H18N4OPtS and a molecular weight of 713.68 g/mol. Its IUPAC name is platinum(2+);2-[2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazol-7-yl]-1,3-oxazole.

Molecular Properties

• Compound Name: platinum(2+);2-[2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazol-7-yl]-1,3-oxazole
• PubChem CID: 153285230
• Molecular Formula: C33H18N4OPtS
• Molecular Weight: 713.68 g/mol
• Exact Mass: 713.08
• IUPAC Name: platinum(2+);2-[2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazol-7-yl]-1,3-oxazole
• SMILES: [Pt+2].[c-]1c(-c2ccccn2)cccc1-n1c2[c-]c(-c3nc4cccc(-c5ncco5)c4s3)ccc2c2ccccc21
• InChI: InChI=1S/C33H18N4OS.Pt/c1-2-13-29-24(9-1)25-15-14-22(33-36-28-12-6-10-26(31(28)39-33)32-35-17-18-38-32)20-30(25)37(29)23-8-5-7-21(19-23)27-11-3-4-16-34-27;/h1-18H;/q-2;+2
• InChIKey: IETCNGZHSWYKJT-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 platinum(2+);2-[2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazol-7-yl]-1,3-oxazole?

The IUPAC name of platinum(2+);2-[2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazol-7-yl]-1,3-oxazole (CID 153285230) is platinum(2+);2-[2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazol-7-yl]-1,3-oxazole.

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

The canonical SMILES for platinum(2+);2-[2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazol-7-yl]-1,3-oxazole is [Pt+2].[c-]1c(-c2ccccn2)cccc1-n1c2[c-]c(-c3nc4cccc(-c5ncco5)c4s3)ccc2c2ccccc21.

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

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

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

platinum(2+);2-[2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazol-7-yl]-1,3-oxazole 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 platinum(2+);2-[2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazol-7-yl]-1,3-oxazole is sourced from PubChem (CID 153285230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).