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

C80H46N10Pt2S2 — CID 161285780

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

bis(platinum(2+));5-pyridin-3-yl-2-[6-pyridin-3-yl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;6-pyridin-3-yl-2-[9-(3-pyridin-2-yl-5-pyridin-3-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole (PubChem CID 161285780) has the molecular formula C80H46N10Pt2S2 and a molecular weight of 1601.61 g/mol. Its IUPAC name is bis(platinum(2+));5-pyridin-3-yl-2-[6-pyridin-3-yl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;6-pyridin-3-yl-2-[9-(3-pyridin-2-yl-5-pyridin-3-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole.

Molecular Properties

• Compound Name: bis(platinum(2+));5-pyridin-3-yl-2-[6-pyridin-3-yl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;6-pyridin-3-yl-2-[9-(3-pyridin-2-yl-5-pyridin-3-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole
• PubChem CID: 161285780
• Molecular Formula: C80H46N10Pt2S2
• Molecular Weight: 1601.61 g/mol
• Exact Mass: 1600.26
• IUPAC Name: bis(platinum(2+));5-pyridin-3-yl-2-[6-pyridin-3-yl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;6-pyridin-3-yl-2-[9-(3-pyridin-2-yl-5-pyridin-3-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole
• SMILES: [Pt+2].[Pt+2].[c-]1c(-c2ccccn2)cc(-c2cccnc2)cc1-n1c2[c-]c(-c3nc4ccc(-c5cccnc5)cc4s3)ccc2c2ccccc21.[c-]1c(-c2ccccn2)cccc1-n1c2[c-]c(-c3nc4cc(-c5cccnc5)ccc4s3)ccc2c2cc(-c3cccnc3)ccc21
• InChI: InChI=1S/2C40H23N5S.2Pt/c1-2-19-43-35(10-1)28-6-3-9-32(20-28)45-37-15-12-26(30-7-4-17-41-24-30)21-34(37)33-14-11-29(23-38(33)45)40-44-36-22-27(13-16-39(36)46-40)31-8-5-18-42-25-31;1-2-11-37-33(9-1)34-14-12-27(40-44-36-15-13-26(23-39(36)46-40)28-7-5-16-41-24-28)22-38(34)45(37)32-20-30(29-8-6-17-42-25-29)19-31(21-32)35-10-3-4-18-43-35;;/h1-19,21-22,24-25H;1-20,23-25H;;/q2*-2;2*+2
• InChIKey: YTYYBRKFBVTJLG-UHFFFAOYSA-N
• XLogP: 19.69
• TPSA: 112.98 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1601.61
LogP ≤ 5	19.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of bis(platinum(2+));5-pyridin-3-yl-2-[6-pyridin-3-yl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;6-pyridin-3-yl-2-[9-(3-pyridin-2-yl-5-pyridin-3-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole (CID 161285780) is bis(platinum(2+));5-pyridin-3-yl-2-[6-pyridin-3-yl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;6-pyridin-3-yl-2-[9-(3-pyridin-2-yl-5-pyridin-3-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole.

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

The canonical SMILES for bis(platinum(2+));5-pyridin-3-yl-2-[6-pyridin-3-yl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;6-pyridin-3-yl-2-[9-(3-pyridin-2-yl-5-pyridin-3-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole is [Pt+2].[Pt+2].[c-]1c(-c2ccccn2)cc(-c2cccnc2)cc1-n1c2[c-]c(-c3nc4ccc(-c5cccnc5)cc4s3)ccc2c2ccccc21.[c-]1c(-c2ccccn2)cccc1-n1c2[c-]c(-c3nc4cc(-c5cccnc5)ccc4s3)ccc2c2cc(-c3cccnc3)ccc21.

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

The InChIKey is YTYYBRKFBVTJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C40H23N5S.2Pt/c1-2-19-43-35(10-1)28-6-3-9-32(20-28)45-37-15-12-26(30-7-4-17-41-24-30)21-34(37)33-14-11-29(23-38(33)45)40-44-36-22-27(13-16-39(36)46-40)31-8-5-18-42-25-31;1-2-11-37-33(9-1)34-14-12-27(40-44-36-15-13-26(23-39(36)46-40)28-7-5-16-41-24-28)22-38(34)45(37)32-20-30(29-8-6-17-42-25-29)19-31(21-32)35-10-3-4-18-43-35;;/h1-19,21-22,24-25H;1-20,23-25H;;/q2*-2;2*+2.

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

bis(platinum(2+));5-pyridin-3-yl-2-[6-pyridin-3-yl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;6-pyridin-3-yl-2-[9-(3-pyridin-2-yl-5-pyridin-3-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole has a molecular weight of 1601.61 g/mol, XLogP of 19.69, 10 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for bis(platinum(2+));5-pyridin-3-yl-2-[6-pyridin-3-yl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;6-pyridin-3-yl-2-[9-(3-pyridin-2-yl-5-pyridin-3-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole is sourced from PubChem (CID 161285780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).