2-[3-[2-[6-(1,3-oxazol-2-yl)-1,3-benzothiazol-2-yl]-1H-carbazol-1-id-9-yl]-5-pyridin-2-ylbenzene-4-id-1-yl]-1,3-oxazole;tris(platinum(2+));2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-5-(1,3-thiazol-2-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-6-(1,3-thiazol-2-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole

C102H55N13O2Pt3S5 — CID 159121996

About 2-[3-[2-[6-(1,3-oxazol-2-yl)-1,3-benzothiazol-2-yl]-1H-carbazol-1-id-9-yl]-5-pyridin-2-ylbenzene-4-id-1-yl]-1,3-oxazole;tris(platinum(2+));2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-5-(1,3-thiazol-2-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-6-(1,3-thiazol-2-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole

2-[3-[2-[6-(1,3-oxazol-2-yl)-1,3-benzothiazol-2-yl]-1H-carbazol-1-id-9-yl]-5-pyridin-2-ylbenzene-4-id-1-yl]-1,3-oxazole;tris(platinum(2+));2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-5-(1,3-thiazol-2-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-6-(1,3-thiazol-2-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole (PubChem CID 159121996) has the molecular formula C102H55N13O2Pt3S5 and a molecular weight of 2240.22 g/mol. Its IUPAC name is 2-[3-[2-[6-(1,3-oxazol-2-yl)-1,3-benzothiazol-2-yl]-1H-carbazol-1-id-9-yl]-5-pyridin-2-ylbenzene-4-id-1-yl]-1,3-oxazole;tris(platinum(2+));2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-5-(1,3-thiazol-2-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-6-(1,3-thiazol-2-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole.

Molecular Properties

• Compound Name: 2-[3-[2-[6-(1,3-oxazol-2-yl)-1,3-benzothiazol-2-yl]-1H-carbazol-1-id-9-yl]-5-pyridin-2-ylbenzene-4-id-1-yl]-1,3-oxazole;tris(platinum(2+));2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-5-(1,3-thiazol-2-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-6-(1,3-thiazol-2-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole
• PubChem CID: 159121996
• Molecular Formula: C102H55N13O2Pt3S5
• Molecular Weight: 2240.22 g/mol
• Exact Mass: 2238.21
• IUPAC Name: 2-[3-[2-[6-(1,3-oxazol-2-yl)-1,3-benzothiazol-2-yl]-1H-carbazol-1-id-9-yl]-5-pyridin-2-ylbenzene-4-id-1-yl]-1,3-oxazole;tris(platinum(2+));2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-5-(1,3-thiazol-2-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-6-(1,3-thiazol-2-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole
• SMILES: [Pt+2].[Pt+2].[Pt+2].[c-]1c(-c2ccccn2)cc(-c2ncco2)cc1-n1c2[c-]c(-c3nc4ccc(-c5ncco5)cc4s3)ccc2c2ccccc21.[c-]1c(-c2ccccn2)cccc1-n1c2[c-]c(-c3nc4ccccc4s3)ccc2c2c(-c3nccs3)cccc21.[c-]1c(-c2ccccn2)cccc1-n1c2[c-]c(-c3nc4ccccc4s3)ccc2c2cc(-c3nccs3)ccc21
• InChI: InChI=1S/C36H19N5O2S.2C33H18N4S2.3Pt/c1-2-7-31-27(5-1)28-10-8-23(36-40-30-11-9-22(21-33(30)44-36)34-38-13-15-42-34)20-32(28)41(31)26-18-24(29-6-3-4-12-37-29)17-25(19-26)35-39-14-16-43-35;1-2-13-30-27(11-1)36-32(39-30)22-14-15-24-29(20-22)37(23-8-5-7-21(19-23)26-10-3-4-16-34-26)28-12-6-9-25(31(24)28)33-35-17-18-38-33;1-2-10-31-28(9-1)36-33(39-31)23-11-13-25-26-19-22(32-35-16-17-38-32)12-14-29(26)37(30(25)20-23)24-7-5-6-21(18-24)27-8-3-4-15-34-27;;;/h1-17,19,21H;1-18H;1-17,19H;;;/q3*-2;3*+2
• InChIKey: UZGWJJZZYHLEKQ-UHFFFAOYSA-N
• XLogP: 26.72
• TPSA: 169.97 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 13
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2240.22
LogP ≤ 5	26.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 2-[3-[2-[6-(1,3-oxazol-2-yl)-1,3-benzothiazol-2-yl]-1H-carbazol-1-id-9-yl]-5-pyridin-2-ylbenzene-4-id-1-yl]-1,3-oxazole;tris(platinum(2+));2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-5-(1,3-thiazol-2-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-6-(1,3-thiazol-2-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole (CID 159121996) is 2-[3-[2-[6-(1,3-oxazol-2-yl)-1,3-benzothiazol-2-yl]-1H-carbazol-1-id-9-yl]-5-pyridin-2-ylbenzene-4-id-1-yl]-1,3-oxazole;tris(platinum(2+));2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-5-(1,3-thiazol-2-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-6-(1,3-thiazol-2-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole.

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

The canonical SMILES for 2-[3-[2-[6-(1,3-oxazol-2-yl)-1,3-benzothiazol-2-yl]-1H-carbazol-1-id-9-yl]-5-pyridin-2-ylbenzene-4-id-1-yl]-1,3-oxazole;tris(platinum(2+));2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-5-(1,3-thiazol-2-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-6-(1,3-thiazol-2-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole is [Pt+2].[Pt+2].[Pt+2].[c-]1c(-c2ccccn2)cc(-c2ncco2)cc1-n1c2[c-]c(-c3nc4ccc(-c5ncco5)cc4s3)ccc2c2ccccc21.[c-]1c(-c2ccccn2)cccc1-n1c2[c-]c(-c3nc4ccccc4s3)ccc2c2c(-c3nccs3)cccc21.[c-]1c(-c2ccccn2)cccc1-n1c2[c-]c(-c3nc4ccccc4s3)ccc2c2cc(-c3nccs3)ccc21.

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

The InChIKey is UZGWJJZZYHLEKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H19N5O2S.2C33H18N4S2.3Pt/c1-2-7-31-27(5-1)28-10-8-23(36-40-30-11-9-22(21-33(30)44-36)34-38-13-15-42-34)20-32(28)41(31)26-18-24(29-6-3-4-12-37-29)17-25(19-26)35-39-14-16-43-35;1-2-13-30-27(11-1)36-32(39-30)22-14-15-24-29(20-22)37(23-8-5-7-21(19-23)26-10-3-4-16-34-26)28-12-6-9-25(31(24)28)33-35-17-18-38-33;1-2-10-31-28(9-1)36-33(39-31)23-11-13-25-26-19-22(32-35-16-17-38-32)12-14-29(26)37(30(25)20-23)24-7-5-6-21(18-24)27-8-3-4-15-34-27;;;/h1-17,19,21H;1-18H;1-17,19H;;;/q3*-2;3*+2.

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

2-[3-[2-[6-(1,3-oxazol-2-yl)-1,3-benzothiazol-2-yl]-1H-carbazol-1-id-9-yl]-5-pyridin-2-ylbenzene-4-id-1-yl]-1,3-oxazole;tris(platinum(2+));2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-5-(1,3-thiazol-2-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-6-(1,3-thiazol-2-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole has a molecular weight of 2240.22 g/mol, XLogP of 26.72, 13 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[2-[6-(1,3-oxazol-2-yl)-1,3-benzothiazol-2-yl]-1H-carbazol-1-id-9-yl]-5-pyridin-2-ylbenzene-4-id-1-yl]-1,3-oxazole;tris(platinum(2+));2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-5-(1,3-thiazol-2-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-6-(1,3-thiazol-2-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole is sourced from PubChem (CID 159121996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).