2-[4-(4-phenylphenyl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;2-[8-(4-phenylphenyl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;bis(platinum(2+))

C84H50N6Pt2S2 — CID 159876604

About 2-[4-(4-phenylphenyl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;2-[8-(4-phenylphenyl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;bis(platinum(2+))

2-[4-(4-phenylphenyl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;2-[8-(4-phenylphenyl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;bis(platinum(2+)) (PubChem CID 159876604) has the molecular formula C84H50N6Pt2S2 and a molecular weight of 1597.66 g/mol. Its IUPAC name is 2-[4-(4-phenylphenyl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;2-[8-(4-phenylphenyl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;bis(platinum(2+)).

Molecular Properties

• Compound Name: 2-[4-(4-phenylphenyl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;2-[8-(4-phenylphenyl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;bis(platinum(2+))
• PubChem CID: 159876604
• Molecular Formula: C84H50N6Pt2S2
• Molecular Weight: 1597.66 g/mol
• Exact Mass: 1596.28
• IUPAC Name: 2-[4-(4-phenylphenyl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;2-[8-(4-phenylphenyl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;bis(platinum(2+))
• SMILES: [Pt+2].[Pt+2].[c-]1c(-c2ccccn2)cccc1-n1c2[c-]c(-c3nc4ccccc4s3)cc(-c3ccc(-c4ccccc4)cc3)c2c2ccccc21.[c-]1c(-c2ccccn2)cccc1-n1c2[c-]c(-c3nc4ccccc4s3)ccc2c2cccc(-c3ccc(-c4ccccc4)cc3)c21
• InChI: InChI=1S/2C42H25N3S.2Pt/c1-2-11-28(12-3-1)29-20-22-30(23-21-29)35-26-32(42-44-37-17-5-7-19-40(37)46-42)27-39-41(35)34-15-4-6-18-38(34)45(39)33-14-10-13-31(25-33)36-16-8-9-24-43-36;1-2-10-28(11-3-1)29-19-21-30(22-20-29)34-14-9-15-36-35-24-23-32(42-44-38-17-4-5-18-40(38)46-42)27-39(35)45(41(34)36)33-13-8-12-31(26-33)37-16-6-7-25-43-37;;/h1-24,26H;1-25H;;/q2*-2;2*+2
• InChIKey: RWCNFOAZZMAXJI-UHFFFAOYSA-N
• XLogP: 22.11
• TPSA: 61.42 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1597.66
LogP ≤ 5	22.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-phenylphenyl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;2-[8-(4-phenylphenyl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;bis(platinum(2+))?

The IUPAC name of 2-[4-(4-phenylphenyl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;2-[8-(4-phenylphenyl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;bis(platinum(2+)) (CID 159876604) is 2-[4-(4-phenylphenyl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;2-[8-(4-phenylphenyl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;bis(platinum(2+)).

What is the SMILES notation for 2-[4-(4-phenylphenyl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;2-[8-(4-phenylphenyl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;bis(platinum(2+))?

The canonical SMILES for 2-[4-(4-phenylphenyl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;2-[8-(4-phenylphenyl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;bis(platinum(2+)) is [Pt+2].[Pt+2].[c-]1c(-c2ccccn2)cccc1-n1c2[c-]c(-c3nc4ccccc4s3)cc(-c3ccc(-c4ccccc4)cc3)c2c2ccccc21.[c-]1c(-c2ccccn2)cccc1-n1c2[c-]c(-c3nc4ccccc4s3)ccc2c2cccc(-c3ccc(-c4ccccc4)cc3)c21.

What is the InChIKey of 2-[4-(4-phenylphenyl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;2-[8-(4-phenylphenyl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;bis(platinum(2+))?

The InChIKey is RWCNFOAZZMAXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C42H25N3S.2Pt/c1-2-11-28(12-3-1)29-20-22-30(23-21-29)35-26-32(42-44-37-17-5-7-19-40(37)46-42)27-39-41(35)34-15-4-6-18-38(34)45(39)33-14-10-13-31(25-33)36-16-8-9-24-43-36;1-2-10-28(11-3-1)29-19-21-30(22-20-29)34-14-9-15-36-35-24-23-32(42-44-38-17-4-5-18-40(38)46-42)27-39(35)45(41(34)36)33-13-8-12-31(26-33)37-16-6-7-25-43-37;;/h1-24,26H;1-25H;;/q2*-2;2*+2.

What are the key properties of 2-[4-(4-phenylphenyl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;2-[8-(4-phenylphenyl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;bis(platinum(2+))?

2-[4-(4-phenylphenyl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;2-[8-(4-phenylphenyl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;bis(platinum(2+)) has a molecular weight of 1597.66 g/mol, XLogP of 22.11, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(4-phenylphenyl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;2-[8-(4-phenylphenyl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;bis(platinum(2+)) is sourced from PubChem (CID 159876604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).