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

C114H63N9O3Pt3S6 — CID 157278579

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

tris(platinum(2+));2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-3,6-dithiophen-2-yl-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;2-[9-(5-pyridin-2-yl-2-thiophen-2-ylbenzene-6-id-1-yl)-6-thiophen-2-yl-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;2-[6-thiophen-2-yl-9-[3-(5-thiophen-2-yl-2-pyridinyl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzoxazole (PubChem CID 157278579) has the molecular formula C114H63N9O3Pt3S6 and a molecular weight of 2384.45 g/mol. Its IUPAC name is tris(platinum(2+));2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-3,6-dithiophen-2-yl-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;2-[9-(5-pyridin-2-yl-2-thiophen-2-ylbenzene-6-id-1-yl)-6-thiophen-2-yl-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;2-[6-thiophen-2-yl-9-[3-(5-thiophen-2-yl-2-pyridinyl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzoxazole.

Molecular Properties

• Compound Name: tris(platinum(2+));2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-3,6-dithiophen-2-yl-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;2-[9-(5-pyridin-2-yl-2-thiophen-2-ylbenzene-6-id-1-yl)-6-thiophen-2-yl-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;2-[6-thiophen-2-yl-9-[3-(5-thiophen-2-yl-2-pyridinyl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzoxazole
• PubChem CID: 157278579
• Molecular Formula: C114H63N9O3Pt3S6
• Molecular Weight: 2384.45 g/mol
• Exact Mass: 2382.23
• IUPAC Name: tris(platinum(2+));2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-3,6-dithiophen-2-yl-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;2-[9-(5-pyridin-2-yl-2-thiophen-2-ylbenzene-6-id-1-yl)-6-thiophen-2-yl-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;2-[6-thiophen-2-yl-9-[3-(5-thiophen-2-yl-2-pyridinyl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzoxazole
• SMILES: [Pt+2].[Pt+2].[Pt+2].[c-]1c(-c2ccc(-c3cccs3)cn2)cccc1-n1c2[c-]c(-c3nc4ccccc4o3)ccc2c2cc(-c3cccs3)ccc21.[c-]1c(-c2ccccn2)ccc(-c2cccs2)c1-n1c2[c-]c(-c3nc4ccccc4o3)ccc2c2cc(-c3cccs3)ccc21.[c-]1c(-c2ccccn2)cccc1-n1c2[c-]c(-c3nc4ccccc4o3)c(-c3cccs3)cc2c2cc(-c3cccs3)ccc21
• InChI: InChI=1S/3C38H21N3OS2.3Pt/c1-2-9-35-32(8-1)40-38(42-35)26-12-15-29-30-21-25(36-10-4-18-43-36)14-17-33(30)41(34(29)22-26)28-7-3-6-24(20-28)31-16-13-27(23-39-31)37-11-5-19-44-37;1-2-12-35-32(11-1)40-38(42-35)30-23-34-28(22-29(30)37-14-7-19-44-37)27-21-25(36-13-6-18-43-36)15-16-33(27)41(34)26-9-5-8-24(20-26)31-10-3-4-17-39-31;1-2-9-35-31(8-1)40-38(42-35)26-13-15-27-29-21-25(36-10-5-19-43-36)14-17-32(29)41(33(27)23-26)34-22-24(30-7-3-4-18-39-30)12-16-28(34)37-11-6-20-44-37;;;/h1-19,21,23H;1-19,21-22H;1-21H;;;/q3*-2;3*+2
• InChIKey: BSKGRRFQPWVUOJ-UHFFFAOYSA-N
• XLogP: 32.13
• TPSA: 131.55 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 15
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2384.45
LogP ≤ 5	32.13
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)-3,6-dithiophen-2-yl-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;2-[9-(5-pyridin-2-yl-2-thiophen-2-ylbenzene-6-id-1-yl)-6-thiophen-2-yl-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;2-[6-thiophen-2-yl-9-[3-(5-thiophen-2-yl-2-pyridinyl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzoxazole?

The IUPAC name of tris(platinum(2+));2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-3,6-dithiophen-2-yl-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;2-[9-(5-pyridin-2-yl-2-thiophen-2-ylbenzene-6-id-1-yl)-6-thiophen-2-yl-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;2-[6-thiophen-2-yl-9-[3-(5-thiophen-2-yl-2-pyridinyl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzoxazole (CID 157278579) is tris(platinum(2+));2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-3,6-dithiophen-2-yl-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;2-[9-(5-pyridin-2-yl-2-thiophen-2-ylbenzene-6-id-1-yl)-6-thiophen-2-yl-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;2-[6-thiophen-2-yl-9-[3-(5-thiophen-2-yl-2-pyridinyl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzoxazole.

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

The canonical SMILES for tris(platinum(2+));2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-3,6-dithiophen-2-yl-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;2-[9-(5-pyridin-2-yl-2-thiophen-2-ylbenzene-6-id-1-yl)-6-thiophen-2-yl-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;2-[6-thiophen-2-yl-9-[3-(5-thiophen-2-yl-2-pyridinyl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzoxazole is [Pt+2].[Pt+2].[Pt+2].[c-]1c(-c2ccc(-c3cccs3)cn2)cccc1-n1c2[c-]c(-c3nc4ccccc4o3)ccc2c2cc(-c3cccs3)ccc21.[c-]1c(-c2ccccn2)ccc(-c2cccs2)c1-n1c2[c-]c(-c3nc4ccccc4o3)ccc2c2cc(-c3cccs3)ccc21.[c-]1c(-c2ccccn2)cccc1-n1c2[c-]c(-c3nc4ccccc4o3)c(-c3cccs3)cc2c2cc(-c3cccs3)ccc21.

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

The InChIKey is BSKGRRFQPWVUOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C38H21N3OS2.3Pt/c1-2-9-35-32(8-1)40-38(42-35)26-12-15-29-30-21-25(36-10-4-18-43-36)14-17-33(30)41(34(29)22-26)28-7-3-6-24(20-28)31-16-13-27(23-39-31)37-11-5-19-44-37;1-2-12-35-32(11-1)40-38(42-35)30-23-34-28(22-29(30)37-14-7-19-44-37)27-21-25(36-13-6-18-43-36)15-16-33(27)41(34)26-9-5-8-24(20-26)31-10-3-4-17-39-31;1-2-9-35-31(8-1)40-38(42-35)26-13-15-27-29-21-25(36-10-5-19-43-36)14-17-32(29)41(33(27)23-26)34-22-24(30-7-3-4-18-39-30)12-16-28(34)37-11-6-20-44-37;;;/h1-19,21,23H;1-19,21-22H;1-21H;;;/q3*-2;3*+2.

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

tris(platinum(2+));2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-3,6-dithiophen-2-yl-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;2-[9-(5-pyridin-2-yl-2-thiophen-2-ylbenzene-6-id-1-yl)-6-thiophen-2-yl-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;2-[6-thiophen-2-yl-9-[3-(5-thiophen-2-yl-2-pyridinyl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzoxazole has a molecular weight of 2384.45 g/mol, XLogP of 32.13, 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)-3,6-dithiophen-2-yl-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;2-[9-(5-pyridin-2-yl-2-thiophen-2-ylbenzene-6-id-1-yl)-6-thiophen-2-yl-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;2-[6-thiophen-2-yl-9-[3-(5-thiophen-2-yl-2-pyridinyl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzoxazole is sourced from PubChem (CID 157278579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).