2-[2-[2-(1,3-benzothiazol-2-yl)-6-(1,3-oxazol-2-yl)-1H-carbazol-1-id-9-yl]-4-[5-(1,3-oxazol-2-yl)-2-pyridinyl]benzene-3-id-1-yl]-1,3-oxazole;platinum(2+)

C39H20N6O3PtS — CID 153285585

About 2-[2-[2-(1,3-benzothiazol-2-yl)-6-(1,3-oxazol-2-yl)-1H-carbazol-1-id-9-yl]-4-[5-(1,3-oxazol-2-yl)-2-pyridinyl]benzene-3-id-1-yl]-1,3-oxazole;platinum(2+)

2-[2-[2-(1,3-benzothiazol-2-yl)-6-(1,3-oxazol-2-yl)-1H-carbazol-1-id-9-yl]-4-[5-(1,3-oxazol-2-yl)-2-pyridinyl]benzene-3-id-1-yl]-1,3-oxazole;platinum(2+) (PubChem CID 153285585) has the molecular formula C39H20N6O3PtS and a molecular weight of 847.77 g/mol. Its IUPAC name is 2-[2-[2-(1,3-benzothiazol-2-yl)-6-(1,3-oxazol-2-yl)-1H-carbazol-1-id-9-yl]-4-[5-(1,3-oxazol-2-yl)-2-pyridinyl]benzene-3-id-1-yl]-1,3-oxazole;platinum(2+).

Molecular Properties

• Compound Name: 2-[2-[2-(1,3-benzothiazol-2-yl)-6-(1,3-oxazol-2-yl)-1H-carbazol-1-id-9-yl]-4-[5-(1,3-oxazol-2-yl)-2-pyridinyl]benzene-3-id-1-yl]-1,3-oxazole;platinum(2+)
• PubChem CID: 153285585
• Molecular Formula: C39H20N6O3PtS
• Molecular Weight: 847.77 g/mol
• Exact Mass: 847.10
• IUPAC Name: 2-[2-[2-(1,3-benzothiazol-2-yl)-6-(1,3-oxazol-2-yl)-1H-carbazol-1-id-9-yl]-4-[5-(1,3-oxazol-2-yl)-2-pyridinyl]benzene-3-id-1-yl]-1,3-oxazole;platinum(2+)
• SMILES: [Pt+2].[c-]1c(-c2ccc(-c3ncco3)cn2)ccc(-c2ncco2)c1-n1c2[c-]c(-c3nc4ccccc4s3)ccc2c2cc(-c3ncco3)ccc21
• InChI: InChI=1S/C39H20N6O3S.Pt/c1-2-4-35-31(3-1)44-39(49-35)25-6-9-27-29-19-24(36-40-13-16-46-36)8-12-32(29)45(33(27)21-25)34-20-23(5-10-28(34)38-42-15-18-48-38)30-11-7-26(22-43-30)37-41-14-17-47-37;/h1-19,22H;/q-2;+2
• InChIKey: LZRAOMYUXXXWCZ-UHFFFAOYSA-N
• XLogP: 9.69
• TPSA: 108.80 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	847.77
LogP ≤ 5	9.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(1,3-benzothiazol-2-yl)-6-(1,3-oxazol-2-yl)-1H-carbazol-1-id-9-yl]-4-[5-(1,3-oxazol-2-yl)-2-pyridinyl]benzene-3-id-1-yl]-1,3-oxazole;platinum(2+)?

The IUPAC name of 2-[2-[2-(1,3-benzothiazol-2-yl)-6-(1,3-oxazol-2-yl)-1H-carbazol-1-id-9-yl]-4-[5-(1,3-oxazol-2-yl)-2-pyridinyl]benzene-3-id-1-yl]-1,3-oxazole;platinum(2+) (CID 153285585) is 2-[2-[2-(1,3-benzothiazol-2-yl)-6-(1,3-oxazol-2-yl)-1H-carbazol-1-id-9-yl]-4-[5-(1,3-oxazol-2-yl)-2-pyridinyl]benzene-3-id-1-yl]-1,3-oxazole;platinum(2+).

What is the SMILES notation for 2-[2-[2-(1,3-benzothiazol-2-yl)-6-(1,3-oxazol-2-yl)-1H-carbazol-1-id-9-yl]-4-[5-(1,3-oxazol-2-yl)-2-pyridinyl]benzene-3-id-1-yl]-1,3-oxazole;platinum(2+)?

The canonical SMILES for 2-[2-[2-(1,3-benzothiazol-2-yl)-6-(1,3-oxazol-2-yl)-1H-carbazol-1-id-9-yl]-4-[5-(1,3-oxazol-2-yl)-2-pyridinyl]benzene-3-id-1-yl]-1,3-oxazole;platinum(2+) is [Pt+2].[c-]1c(-c2ccc(-c3ncco3)cn2)ccc(-c2ncco2)c1-n1c2[c-]c(-c3nc4ccccc4s3)ccc2c2cc(-c3ncco3)ccc21.

What is the InChIKey of 2-[2-[2-(1,3-benzothiazol-2-yl)-6-(1,3-oxazol-2-yl)-1H-carbazol-1-id-9-yl]-4-[5-(1,3-oxazol-2-yl)-2-pyridinyl]benzene-3-id-1-yl]-1,3-oxazole;platinum(2+)?

The InChIKey is LZRAOMYUXXXWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H20N6O3S.Pt/c1-2-4-35-31(3-1)44-39(49-35)25-6-9-27-29-19-24(36-40-13-16-46-36)8-12-32(29)45(33(27)21-25)34-20-23(5-10-28(34)38-42-15-18-48-38)30-11-7-26(22-43-30)37-41-14-17-47-37;/h1-19,22H;/q-2;+2.

What are the key properties of 2-[2-[2-(1,3-benzothiazol-2-yl)-6-(1,3-oxazol-2-yl)-1H-carbazol-1-id-9-yl]-4-[5-(1,3-oxazol-2-yl)-2-pyridinyl]benzene-3-id-1-yl]-1,3-oxazole;platinum(2+)?

2-[2-[2-(1,3-benzothiazol-2-yl)-6-(1,3-oxazol-2-yl)-1H-carbazol-1-id-9-yl]-4-[5-(1,3-oxazol-2-yl)-2-pyridinyl]benzene-3-id-1-yl]-1,3-oxazole;platinum(2+) has a molecular weight of 847.77 g/mol, XLogP of 9.69, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-(1,3-benzothiazol-2-yl)-6-(1,3-oxazol-2-yl)-1H-carbazol-1-id-9-yl]-4-[5-(1,3-oxazol-2-yl)-2-pyridinyl]benzene-3-id-1-yl]-1,3-oxazole;platinum(2+) is sourced from PubChem (CID 153285585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).