platinum(2+);2-[9-[3-pyridin-2-yl-5-(1,3-thiazol-2-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-6-(1,3-thiazol-2-yl)-1,3-benzoxazole

C36H19N5OPtS2 — CID 142328851

About platinum(2+);2-[9-[3-pyridin-2-yl-5-(1,3-thiazol-2-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-6-(1,3-thiazol-2-yl)-1,3-benzoxazole

platinum(2+);2-[9-[3-pyridin-2-yl-5-(1,3-thiazol-2-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-6-(1,3-thiazol-2-yl)-1,3-benzoxazole (PubChem CID 142328851) has the molecular formula C36H19N5OPtS2 and a molecular weight of 796.79 g/mol. Its IUPAC name is platinum(2+);2-[9-[3-pyridin-2-yl-5-(1,3-thiazol-2-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-6-(1,3-thiazol-2-yl)-1,3-benzoxazole.

Molecular Properties

• Compound Name: platinum(2+);2-[9-[3-pyridin-2-yl-5-(1,3-thiazol-2-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-6-(1,3-thiazol-2-yl)-1,3-benzoxazole
• PubChem CID: 142328851
• Molecular Formula: C36H19N5OPtS2
• Molecular Weight: 796.79 g/mol
• Exact Mass: 796.07
• IUPAC Name: platinum(2+);2-[9-[3-pyridin-2-yl-5-(1,3-thiazol-2-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-6-(1,3-thiazol-2-yl)-1,3-benzoxazole
• SMILES: [Pt+2].[c-]1c(-c2ccccn2)cc(-c2nccs2)cc1-n1c2[c-]c(-c3nc4ccc(-c5nccs5)cc4o3)ccc2c2ccccc21
• InChI: InChI=1S/C36H19N5OS2.Pt/c1-2-7-31-27(5-1)28-10-8-22(34-40-30-11-9-23(21-33(30)42-34)35-38-13-15-43-35)20-32(28)41(31)26-18-24(29-6-3-4-12-37-29)17-25(19-26)36-39-14-16-44-36;/h1-17,19,21H;/q-2;+2
• InChIKey: ODFYAIBHGYOXJH-UHFFFAOYSA-N
• XLogP: 9.50
• TPSA: 69.63 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	796.79
LogP ≤ 5	9.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

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-[9-[3-pyridin-2-yl-5-(1,3-thiazol-2-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-6-(1,3-thiazol-2-yl)-1,3-benzoxazole?

The IUPAC name of platinum(2+);2-[9-[3-pyridin-2-yl-5-(1,3-thiazol-2-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-6-(1,3-thiazol-2-yl)-1,3-benzoxazole (CID 142328851) is platinum(2+);2-[9-[3-pyridin-2-yl-5-(1,3-thiazol-2-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-6-(1,3-thiazol-2-yl)-1,3-benzoxazole.

What is the SMILES notation for platinum(2+);2-[9-[3-pyridin-2-yl-5-(1,3-thiazol-2-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-6-(1,3-thiazol-2-yl)-1,3-benzoxazole?

The canonical SMILES for platinum(2+);2-[9-[3-pyridin-2-yl-5-(1,3-thiazol-2-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-6-(1,3-thiazol-2-yl)-1,3-benzoxazole is [Pt+2].[c-]1c(-c2ccccn2)cc(-c2nccs2)cc1-n1c2[c-]c(-c3nc4ccc(-c5nccs5)cc4o3)ccc2c2ccccc21.

What is the InChIKey of platinum(2+);2-[9-[3-pyridin-2-yl-5-(1,3-thiazol-2-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-6-(1,3-thiazol-2-yl)-1,3-benzoxazole?

The InChIKey is ODFYAIBHGYOXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H19N5OS2.Pt/c1-2-7-31-27(5-1)28-10-8-22(34-40-30-11-9-23(21-33(30)42-34)35-38-13-15-43-35)20-32(28)41(31)26-18-24(29-6-3-4-12-37-29)17-25(19-26)36-39-14-16-44-36;/h1-17,19,21H;/q-2;+2.

What are the key properties of platinum(2+);2-[9-[3-pyridin-2-yl-5-(1,3-thiazol-2-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-6-(1,3-thiazol-2-yl)-1,3-benzoxazole?

platinum(2+);2-[9-[3-pyridin-2-yl-5-(1,3-thiazol-2-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-6-(1,3-thiazol-2-yl)-1,3-benzoxazole has a molecular weight of 796.79 g/mol, XLogP of 9.50, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for platinum(2+);2-[9-[3-pyridin-2-yl-5-(1,3-thiazol-2-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-6-(1,3-thiazol-2-yl)-1,3-benzoxazole is sourced from PubChem (CID 142328851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).