2-[5-(4-phenylphenyl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;platinum(2+)

C42H25N3PtS — CID 153285159

About 2-[5-(4-phenylphenyl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;platinum(2+)

2-[5-(4-phenylphenyl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;platinum(2+) (PubChem CID 153285159) has the molecular formula C42H25N3PtS and a molecular weight of 798.83 g/mol. Its IUPAC name is 2-[5-(4-phenylphenyl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;platinum(2+).

Molecular Properties

• Compound Name: 2-[5-(4-phenylphenyl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;platinum(2+)
• PubChem CID: 153285159
• Molecular Formula: C42H25N3PtS
• Molecular Weight: 798.83 g/mol
• Exact Mass: 798.14
• IUPAC Name: 2-[5-(4-phenylphenyl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;platinum(2+)
• SMILES: [Pt+2].[c-]1c(-c2ccccn2)cccc1-n1c2[c-]c(-c3nc4ccccc4s3)ccc2c2c(-c3ccc(-c4ccccc4)cc3)cccc21
• InChI: InChI=1S/C42H25N3S.Pt/c1-2-10-28(11-3-1)29-19-21-30(22-20-29)34-14-9-17-38-41(34)35-24-23-32(42-44-37-16-4-5-18-40(37)46-42)27-39(35)45(38)33-13-8-12-31(26-33)36-15-6-7-25-43-36;/h1-25H;/q-2;+2
• InChIKey: KKBBCKWOVMPGLJ-UHFFFAOYSA-N
• XLogP: 11.05
• TPSA: 30.71 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	798.83
LogP ≤ 5	11.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-phenylphenyl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;platinum(2+)?

The IUPAC name of 2-[5-(4-phenylphenyl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;platinum(2+) (CID 153285159) is 2-[5-(4-phenylphenyl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;platinum(2+).

What is the SMILES notation for 2-[5-(4-phenylphenyl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;platinum(2+)?

The canonical SMILES for 2-[5-(4-phenylphenyl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;platinum(2+) is [Pt+2].[c-]1c(-c2ccccn2)cccc1-n1c2[c-]c(-c3nc4ccccc4s3)ccc2c2c(-c3ccc(-c4ccccc4)cc3)cccc21.

What is the InChIKey of 2-[5-(4-phenylphenyl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;platinum(2+)?

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

What are the key properties of 2-[5-(4-phenylphenyl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;platinum(2+)?

2-[5-(4-phenylphenyl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;platinum(2+) has a molecular weight of 798.83 g/mol, XLogP of 11.05, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-(4-phenylphenyl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;platinum(2+) is sourced from PubChem (CID 153285159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).