2-[6-[3-[2-(1,3-benzothiazol-2-yl)-1H-carbazol-1-id-9-yl]-4-(3H-pyrrol-2-yl)benzene-2-id-1-yl]-3-pyridinyl]-1,3-oxazole;2-[6-[3-[2-(1,3-benzothiazol-2-yl)-6-(1,3-oxazol-2-yl)-1H-carbazol-1-id-9-yl]benzene-2-id-1-yl]-3-pyridinyl]-1,3-oxazole;2-[7-[6-(1,3-oxazol-2-yl)-1,3-benzothiazol-2-yl]-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-8H-carbazol-8-id-3-yl]-1,3-oxazole;tris(platinum(2+))

C₁₀₉H₅₉N₁₅O₅Pt₃S₃ — CID 158225217

About 2-[6-[3-[2-(1,3-benzothiazol-2-yl)-1H-carbazol-1-id-9-yl]-4-(3H-pyrrol-2-yl)benzene-2-id-1-yl]-3-pyridinyl]-1,3-oxazole;2-[6-[3-[2-(1,3-benzothiazol-2-yl)-6-(1,3-oxazol-2-yl)-1H-carbazol-1-id-9-yl]benzene-2-id-1-yl]-3-pyridinyl]-1,3-oxazole;2-[7-[6-(1,3-oxazol-2-yl)-1,3-benzothiazol-2-yl]-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-8H-carbazol-8-id-3-yl]-1,3-oxazole;tris(platinum(2+))

2-[6-[3-[2-(1,3-benzothiazol-2-yl)-1H-carbazol-1-id-9-yl]-4-(3H-pyrrol-2-yl)benzene-2-id-1-yl]-3-pyridinyl]-1,3-oxazole;2-[6-[3-[2-(1,3-benzothiazol-2-yl)-6-(1,3-oxazol-2-yl)-1H-carbazol-1-id-9-yl]benzene-2-id-1-yl]-3-pyridinyl]-1,3-oxazole;2-[7-[6-(1,3-oxazol-2-yl)-1,3-benzothiazol-2-yl]-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-8H-carbazol-8-id-3-yl]-1,3-oxazole;tris(platinum(2+)) (PubChem CID 158225217) has the molecular formula C₁₀₉H₅₉N₁₅O₅Pt₃S₃ and a molecular weight of 2340.21 g/mol. Its IUPAC name is 2-[6-[3-[2-(1,3-benzothiazol-2-yl)-1H-carbazol-1-id-9-yl]-4-(3H-pyrrol-2-yl)benzene-2-id-1-yl]-3-pyridinyl]-1,3-oxazole;2-[6-[3-[2-(1,3-benzothiazol-2-yl)-6-(1,3-oxazol-2-yl)-1H-carbazol-1-id-9-yl]benzene-2-id-1-yl]-3-pyridinyl]-1,3-oxazole;2-[7-[6-(1,3-oxazol-2-yl)-1,3-benzothiazol-2-yl]-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-8H-carbazol-8-id-3-yl]-1,3-oxazole;tris(platinum(2+)).

Molecular Properties

• Compound Name: 2-[6-[3-[2-(1,3-benzothiazol-2-yl)-1H-carbazol-1-id-9-yl]-4-(3H-pyrrol-2-yl)benzene-2-id-1-yl]-3-pyridinyl]-1,3-oxazole;2-[6-[3-[2-(1,3-benzothiazol-2-yl)-6-(1,3-oxazol-2-yl)-1H-carbazol-1-id-9-yl]benzene-2-id-1-yl]-3-pyridinyl]-1,3-oxazole;2-[7-[6-(1,3-oxazol-2-yl)-1,3-benzothiazol-2-yl]-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-8H-carbazol-8-id-3-yl]-1,3-oxazole;tris(platinum(2+))
• PubChem CID: 158225217
• Molecular Formula: C₁₀₉H₅₉N₁₅O₅Pt₃S₃
• Molecular Weight: 2340.21 g/mol
• Exact Mass: 2338.29
• IUPAC Name: 2-[6-[3-[2-(1,3-benzothiazol-2-yl)-1H-carbazol-1-id-9-yl]-4-(3H-pyrrol-2-yl)benzene-2-id-1-yl]-3-pyridinyl]-1,3-oxazole;2-[6-[3-[2-(1,3-benzothiazol-2-yl)-6-(1,3-oxazol-2-yl)-1H-carbazol-1-id-9-yl]benzene-2-id-1-yl]-3-pyridinyl]-1,3-oxazole;2-[7-[6-(1,3-oxazol-2-yl)-1,3-benzothiazol-2-yl]-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-8H-carbazol-8-id-3-yl]-1,3-oxazole;tris(platinum(2+))
• SMILES: [Pt+2].[Pt+2].[Pt+2].[c-]1c(-c2ccc(-c3ncco3)cn2)ccc(C2=NC=CC2)c1-n1c2[c-]c(-c3nc4ccccc4s3)ccc2c2ccccc21.[c-]1c(-c2ccc(-c3ncco3)cn2)cccc1-n1c2[c-]c(-c3nc4ccccc4s3)ccc2c2cc(-c3ncco3)ccc21.[c-]1c(-c2ccccn2)cccc1-n1c2[c-]c(-c3nc4ccc(-c5ncco5)cc4s3)ccc2c2cc(-c3ncco3)ccc21
• InChI: InChI=1S/C37H21N5OS.2C36H19N5O2S.3Pt/c1-3-9-32-26(6-1)27-14-12-24(37-41-31-7-2-4-10-35(31)44-37)21-33(27)42(32)34-20-23(11-15-28(34)30-8-5-17-38-30)29-16-13-25(22-40-29)36-39-18-19-43-36;1-2-13-37-29(6-1)22-4-3-5-26(18-22)41-31-12-9-23(34-38-14-16-42-34)19-28(31)27-10-7-25(20-32(27)41)36-40-30-11-8-24(21-33(30)44-36)35-39-15-17-43-35;1-2-7-33-30(6-1)40-36(44-33)24-8-11-27-28-19-23(34-37-14-16-42-34)10-13-31(28)41(32(27)20-24)26-5-3-4-22(18-26)29-12-9-25(21-39-29)35-38-15-17-43-35;;;/h1-7,9-19,22H,8H2;2*1-17,19,21H;;;/q3*-2;3*+2
• InChIKey: UEHMSHJRMACHQG-UHFFFAOYSA-N
• XLogP: 27.14
• TPSA: 234.64 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 15
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2340.21
LogP ≤ 5	27.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[6-[3-[2-(1,3-benzothiazol-2-yl)-1H-carbazol-1-id-9-yl]-4-(3H-pyrrol-2-yl)benzene-2-id-1-yl]-3-pyridinyl]-1,3-oxazole;2-[6-[3-[2-(1,3-benzothiazol-2-yl)-6-(1,3-oxazol-2-yl)-1H-carbazol-1-id-9-yl]benzene-2-id-1-yl]-3-pyridinyl]-1,3-oxazole;2-[7-[6-(1,3-oxazol-2-yl)-1,3-benzothiazol-2-yl]-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-8H-carbazol-8-id-3-yl]-1,3-oxazole;tris(platinum(2+))?

The IUPAC name of 2-[6-[3-[2-(1,3-benzothiazol-2-yl)-1H-carbazol-1-id-9-yl]-4-(3H-pyrrol-2-yl)benzene-2-id-1-yl]-3-pyridinyl]-1,3-oxazole;2-[6-[3-[2-(1,3-benzothiazol-2-yl)-6-(1,3-oxazol-2-yl)-1H-carbazol-1-id-9-yl]benzene-2-id-1-yl]-3-pyridinyl]-1,3-oxazole;2-[7-[6-(1,3-oxazol-2-yl)-1,3-benzothiazol-2-yl]-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-8H-carbazol-8-id-3-yl]-1,3-oxazole;tris(platinum(2+)) (CID 158225217) is 2-[6-[3-[2-(1,3-benzothiazol-2-yl)-1H-carbazol-1-id-9-yl]-4-(3H-pyrrol-2-yl)benzene-2-id-1-yl]-3-pyridinyl]-1,3-oxazole;2-[6-[3-[2-(1,3-benzothiazol-2-yl)-6-(1,3-oxazol-2-yl)-1H-carbazol-1-id-9-yl]benzene-2-id-1-yl]-3-pyridinyl]-1,3-oxazole;2-[7-[6-(1,3-oxazol-2-yl)-1,3-benzothiazol-2-yl]-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-8H-carbazol-8-id-3-yl]-1,3-oxazole;tris(platinum(2+)).

What is the SMILES notation for 2-[6-[3-[2-(1,3-benzothiazol-2-yl)-1H-carbazol-1-id-9-yl]-4-(3H-pyrrol-2-yl)benzene-2-id-1-yl]-3-pyridinyl]-1,3-oxazole;2-[6-[3-[2-(1,3-benzothiazol-2-yl)-6-(1,3-oxazol-2-yl)-1H-carbazol-1-id-9-yl]benzene-2-id-1-yl]-3-pyridinyl]-1,3-oxazole;2-[7-[6-(1,3-oxazol-2-yl)-1,3-benzothiazol-2-yl]-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-8H-carbazol-8-id-3-yl]-1,3-oxazole;tris(platinum(2+))?

The canonical SMILES for 2-[6-[3-[2-(1,3-benzothiazol-2-yl)-1H-carbazol-1-id-9-yl]-4-(3H-pyrrol-2-yl)benzene-2-id-1-yl]-3-pyridinyl]-1,3-oxazole;2-[6-[3-[2-(1,3-benzothiazol-2-yl)-6-(1,3-oxazol-2-yl)-1H-carbazol-1-id-9-yl]benzene-2-id-1-yl]-3-pyridinyl]-1,3-oxazole;2-[7-[6-(1,3-oxazol-2-yl)-1,3-benzothiazol-2-yl]-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-8H-carbazol-8-id-3-yl]-1,3-oxazole;tris(platinum(2+)) is [Pt+2].[Pt+2].[Pt+2].[c-]1c(-c2ccc(-c3ncco3)cn2)ccc(C2=NC=CC2)c1-n1c2[c-]c(-c3nc4ccccc4s3)ccc2c2ccccc21.[c-]1c(-c2ccc(-c3ncco3)cn2)cccc1-n1c2[c-]c(-c3nc4ccccc4s3)ccc2c2cc(-c3ncco3)ccc21.[c-]1c(-c2ccccn2)cccc1-n1c2[c-]c(-c3nc4ccc(-c5ncco5)cc4s3)ccc2c2cc(-c3ncco3)ccc21.

What is the InChIKey of 2-[6-[3-[2-(1,3-benzothiazol-2-yl)-1H-carbazol-1-id-9-yl]-4-(3H-pyrrol-2-yl)benzene-2-id-1-yl]-3-pyridinyl]-1,3-oxazole;2-[6-[3-[2-(1,3-benzothiazol-2-yl)-6-(1,3-oxazol-2-yl)-1H-carbazol-1-id-9-yl]benzene-2-id-1-yl]-3-pyridinyl]-1,3-oxazole;2-[7-[6-(1,3-oxazol-2-yl)-1,3-benzothiazol-2-yl]-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-8H-carbazol-8-id-3-yl]-1,3-oxazole;tris(platinum(2+))?

The InChIKey is UEHMSHJRMACHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H21N5OS.2C36H19N5O2S.3Pt/c1-3-9-32-26(6-1)27-14-12-24(37-41-31-7-2-4-10-35(31)44-37)21-33(27)42(32)34-20-23(11-15-28(34)30-8-5-17-38-30)29-16-13-25(22-40-29)36-39-18-19-43-36;1-2-13-37-29(6-1)22-4-3-5-26(18-22)41-31-12-9-23(34-38-14-16-42-34)19-28(31)27-10-7-25(20-32(27)41)36-40-30-11-8-24(21-33(30)44-36)35-39-15-17-43-35;1-2-7-33-30(6-1)40-36(44-33)24-8-11-27-28-19-23(34-37-14-16-42-34)10-13-31(28)41(32(27)20-24)26-5-3-4-22(18-26)29-12-9-25(21-39-29)35-38-15-17-43-35;;;/h1-7,9-19,22H,8H2;2*1-17,19,21H;;;/q3*-2;3*+2.

What are the key properties of 2-[6-[3-[2-(1,3-benzothiazol-2-yl)-1H-carbazol-1-id-9-yl]-4-(3H-pyrrol-2-yl)benzene-2-id-1-yl]-3-pyridinyl]-1,3-oxazole;2-[6-[3-[2-(1,3-benzothiazol-2-yl)-6-(1,3-oxazol-2-yl)-1H-carbazol-1-id-9-yl]benzene-2-id-1-yl]-3-pyridinyl]-1,3-oxazole;2-[7-[6-(1,3-oxazol-2-yl)-1,3-benzothiazol-2-yl]-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-8H-carbazol-8-id-3-yl]-1,3-oxazole;tris(platinum(2+))?

2-[6-[3-[2-(1,3-benzothiazol-2-yl)-1H-carbazol-1-id-9-yl]-4-(3H-pyrrol-2-yl)benzene-2-id-1-yl]-3-pyridinyl]-1,3-oxazole;2-[6-[3-[2-(1,3-benzothiazol-2-yl)-6-(1,3-oxazol-2-yl)-1H-carbazol-1-id-9-yl]benzene-2-id-1-yl]-3-pyridinyl]-1,3-oxazole;2-[7-[6-(1,3-oxazol-2-yl)-1,3-benzothiazol-2-yl]-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-8H-carbazol-8-id-3-yl]-1,3-oxazole;tris(platinum(2+)) has a molecular weight of 2340.21 g/mol, XLogP of 27.14, 15 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[3-[2-(1,3-benzothiazol-2-yl)-1H-carbazol-1-id-9-yl]-4-(3H-pyrrol-2-yl)benzene-2-id-1-yl]-3-pyridinyl]-1,3-oxazole;2-[6-[3-[2-(1,3-benzothiazol-2-yl)-6-(1,3-oxazol-2-yl)-1H-carbazol-1-id-9-yl]benzene-2-id-1-yl]-3-pyridinyl]-1,3-oxazole;2-[7-[6-(1,3-oxazol-2-yl)-1,3-benzothiazol-2-yl]-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-8H-carbazol-8-id-3-yl]-1,3-oxazole;tris(platinum(2+)) is sourced from PubChem (CID 158225217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158225217 — identifiers, structure, computed properties (public domain)

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