tris(platinum(2+));2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-6-thiophen-3-yl-1H-carbazol-1-id-2-yl]-5-thiophen-3-yl-1,3-benzothiazole;2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-6-thiophen-3-yl-1H-carbazol-1-id-2-yl]-6-thiophen-3-yl-1,3-benzothiazole;2-[9-(3-pyridin-2-yl-5-thiophen-3-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-6-thiophen-3-yl-1,3-benzothiazole

C114H63N9Pt3S9 — CID 157242615

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

tris(platinum(2+));2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-6-thiophen-3-yl-1H-carbazol-1-id-2-yl]-5-thiophen-3-yl-1,3-benzothiazole;2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-6-thiophen-3-yl-1H-carbazol-1-id-2-yl]-6-thiophen-3-yl-1,3-benzothiazole;2-[9-(3-pyridin-2-yl-5-thiophen-3-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-6-thiophen-3-yl-1,3-benzothiazole (PubChem CID 157242615) has the molecular formula C114H63N9Pt3S9 and a molecular weight of 2432.66 g/mol. Its IUPAC name is tris(platinum(2+));2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-6-thiophen-3-yl-1H-carbazol-1-id-2-yl]-5-thiophen-3-yl-1,3-benzothiazole;2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-6-thiophen-3-yl-1H-carbazol-1-id-2-yl]-6-thiophen-3-yl-1,3-benzothiazole;2-[9-(3-pyridin-2-yl-5-thiophen-3-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-6-thiophen-3-yl-1,3-benzothiazole.

Molecular Properties

• Compound Name: tris(platinum(2+));2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-6-thiophen-3-yl-1H-carbazol-1-id-2-yl]-5-thiophen-3-yl-1,3-benzothiazole;2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-6-thiophen-3-yl-1H-carbazol-1-id-2-yl]-6-thiophen-3-yl-1,3-benzothiazole;2-[9-(3-pyridin-2-yl-5-thiophen-3-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-6-thiophen-3-yl-1,3-benzothiazole
• PubChem CID: 157242615
• Molecular Formula: C114H63N9Pt3S9
• Molecular Weight: 2432.66 g/mol
• Exact Mass: 2430.16
• IUPAC Name: tris(platinum(2+));2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-6-thiophen-3-yl-1H-carbazol-1-id-2-yl]-5-thiophen-3-yl-1,3-benzothiazole;2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-6-thiophen-3-yl-1H-carbazol-1-id-2-yl]-6-thiophen-3-yl-1,3-benzothiazole;2-[9-(3-pyridin-2-yl-5-thiophen-3-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-6-thiophen-3-yl-1,3-benzothiazole
• SMILES: [Pt+2].[Pt+2].[Pt+2].[c-]1c(-c2ccccn2)cc(-c2ccsc2)cc1-n1c2[c-]c(-c3nc4ccc(-c5ccsc5)cc4s3)ccc2c2ccccc21.[c-]1c(-c2ccccn2)cccc1-n1c2[c-]c(-c3nc4cc(-c5ccsc5)ccc4s3)ccc2c2cc(-c3ccsc3)ccc21.[c-]1c(-c2ccccn2)cccc1-n1c2[c-]c(-c3nc4ccc(-c5ccsc5)cc4s3)ccc2c2cc(-c3ccsc3)ccc21
• InChI: InChI=1S/3C38H21N3S3.3Pt/c1-2-15-39-33(6-1)26-4-3-5-30(18-26)41-35-12-9-24(28-13-16-42-22-28)19-32(35)31-10-7-27(20-36(31)41)38-40-34-11-8-25(21-37(34)44-38)29-14-17-43-23-29;1-2-15-39-33(6-1)26-4-3-5-30(18-26)41-35-11-8-24(28-13-16-42-22-28)19-32(35)31-10-7-27(21-36(31)41)38-40-34-20-25(9-12-37(34)44-38)29-14-17-43-23-29;1-2-7-35-31(5-1)32-10-8-25(38-40-34-11-9-24(21-37(34)44-38)26-12-15-42-22-26)20-36(32)41(35)30-18-28(27-13-16-43-23-27)17-29(19-30)33-6-3-4-14-39-33;;;/h1-17,19,21-23H;1-17,19-20,22-23H;1-18,21-23H;;;/q3*-2;3*+2
• InChIKey: ADJOIZYVMUGUKE-UHFFFAOYSA-N
• XLogP: 33.53
• TPSA: 92.13 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 15
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2432.66
LogP ≤ 5	33.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of tris(platinum(2+));2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-6-thiophen-3-yl-1H-carbazol-1-id-2-yl]-5-thiophen-3-yl-1,3-benzothiazole;2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-6-thiophen-3-yl-1H-carbazol-1-id-2-yl]-6-thiophen-3-yl-1,3-benzothiazole;2-[9-(3-pyridin-2-yl-5-thiophen-3-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-6-thiophen-3-yl-1,3-benzothiazole (CID 157242615) is tris(platinum(2+));2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-6-thiophen-3-yl-1H-carbazol-1-id-2-yl]-5-thiophen-3-yl-1,3-benzothiazole;2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-6-thiophen-3-yl-1H-carbazol-1-id-2-yl]-6-thiophen-3-yl-1,3-benzothiazole;2-[9-(3-pyridin-2-yl-5-thiophen-3-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-6-thiophen-3-yl-1,3-benzothiazole.

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

The canonical SMILES for tris(platinum(2+));2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-6-thiophen-3-yl-1H-carbazol-1-id-2-yl]-5-thiophen-3-yl-1,3-benzothiazole;2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-6-thiophen-3-yl-1H-carbazol-1-id-2-yl]-6-thiophen-3-yl-1,3-benzothiazole;2-[9-(3-pyridin-2-yl-5-thiophen-3-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-6-thiophen-3-yl-1,3-benzothiazole is [Pt+2].[Pt+2].[Pt+2].[c-]1c(-c2ccccn2)cc(-c2ccsc2)cc1-n1c2[c-]c(-c3nc4ccc(-c5ccsc5)cc4s3)ccc2c2ccccc21.[c-]1c(-c2ccccn2)cccc1-n1c2[c-]c(-c3nc4cc(-c5ccsc5)ccc4s3)ccc2c2cc(-c3ccsc3)ccc21.[c-]1c(-c2ccccn2)cccc1-n1c2[c-]c(-c3nc4ccc(-c5ccsc5)cc4s3)ccc2c2cc(-c3ccsc3)ccc21.

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

The InChIKey is ADJOIZYVMUGUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/3C38H21N3S3.3Pt/c1-2-15-39-33(6-1)26-4-3-5-30(18-26)41-35-12-9-24(28-13-16-42-22-28)19-32(35)31-10-7-27(20-36(31)41)38-40-34-11-8-25(21-37(34)44-38)29-14-17-43-23-29;1-2-15-39-33(6-1)26-4-3-5-30(18-26)41-35-11-8-24(28-13-16-42-22-28)19-32(35)31-10-7-27(21-36(31)41)38-40-34-20-25(9-12-37(34)44-38)29-14-17-43-23-29;1-2-7-35-31(5-1)32-10-8-25(38-40-34-11-9-24(21-37(34)44-38)26-12-15-42-22-26)20-36(32)41(35)30-18-28(27-13-16-43-23-27)17-29(19-30)33-6-3-4-14-39-33;;;/h1-17,19,21-23H;1-17,19-20,22-23H;1-18,21-23H;;;/q3*-2;3*+2.

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

tris(platinum(2+));2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-6-thiophen-3-yl-1H-carbazol-1-id-2-yl]-5-thiophen-3-yl-1,3-benzothiazole;2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-6-thiophen-3-yl-1H-carbazol-1-id-2-yl]-6-thiophen-3-yl-1,3-benzothiazole;2-[9-(3-pyridin-2-yl-5-thiophen-3-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-6-thiophen-3-yl-1,3-benzothiazole has a molecular weight of 2432.66 g/mol, XLogP of 33.53, 15 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for tris(platinum(2+));2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-6-thiophen-3-yl-1H-carbazol-1-id-2-yl]-5-thiophen-3-yl-1,3-benzothiazole;2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-6-thiophen-3-yl-1H-carbazol-1-id-2-yl]-6-thiophen-3-yl-1,3-benzothiazole;2-[9-(3-pyridin-2-yl-5-thiophen-3-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-6-thiophen-3-yl-1,3-benzothiazole is sourced from PubChem (CID 157242615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).