platinum(2+);2-[9-[2-pyrazol-1-yl-5-(5-pyrazol-1-yl-2-pyridinyl)benzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole

C36H21N7PtS — CID 153285595

About platinum(2+);2-[9-[2-pyrazol-1-yl-5-(5-pyrazol-1-yl-2-pyridinyl)benzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole

platinum(2+);2-[9-[2-pyrazol-1-yl-5-(5-pyrazol-1-yl-2-pyridinyl)benzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole (PubChem CID 153285595) has the molecular formula C36H21N7PtS and a molecular weight of 778.76 g/mol. Its IUPAC name is platinum(2+);2-[9-[2-pyrazol-1-yl-5-(5-pyrazol-1-yl-2-pyridinyl)benzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole.

Molecular Properties

• Compound Name: platinum(2+);2-[9-[2-pyrazol-1-yl-5-(5-pyrazol-1-yl-2-pyridinyl)benzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole
• PubChem CID: 153285595
• Molecular Formula: C36H21N7PtS
• Molecular Weight: 778.76 g/mol
• Exact Mass: 778.12
• IUPAC Name: platinum(2+);2-[9-[2-pyrazol-1-yl-5-(5-pyrazol-1-yl-2-pyridinyl)benzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole
• SMILES: [Pt+2].[c-]1c(-c2ccc(-n3cccn3)cn2)ccc(-n2cccn2)c1-n1c2[c-]c(-c3nc4ccccc4s3)ccc2c2ccccc21
• InChI: InChI=1S/C36H21N7S.Pt/c1-3-9-31-27(7-1)28-14-11-25(36-40-30-8-2-4-10-35(30)44-36)22-33(28)43(31)34-21-24(12-16-32(34)42-20-6-18-39-42)29-15-13-26(23-37-29)41-19-5-17-38-41;/h1-20,23H;/q-2;+2
• InChIKey: IANACXVEYMDYFB-UHFFFAOYSA-N
• XLogP: 8.09
• TPSA: 66.35 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	778.76
LogP ≤ 5	8.09
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 platinum(2+);2-[9-[2-pyrazol-1-yl-5-(5-pyrazol-1-yl-2-pyridinyl)benzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole?

The IUPAC name of platinum(2+);2-[9-[2-pyrazol-1-yl-5-(5-pyrazol-1-yl-2-pyridinyl)benzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole (CID 153285595) is platinum(2+);2-[9-[2-pyrazol-1-yl-5-(5-pyrazol-1-yl-2-pyridinyl)benzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole.

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

The canonical SMILES for platinum(2+);2-[9-[2-pyrazol-1-yl-5-(5-pyrazol-1-yl-2-pyridinyl)benzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole is [Pt+2].[c-]1c(-c2ccc(-n3cccn3)cn2)ccc(-n2cccn2)c1-n1c2[c-]c(-c3nc4ccccc4s3)ccc2c2ccccc21.

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

The InChIKey is IANACXVEYMDYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H21N7S.Pt/c1-3-9-31-27(7-1)28-14-11-25(36-40-30-8-2-4-10-35(30)44-36)22-33(28)43(31)34-21-24(12-16-32(34)42-20-6-18-39-42)29-15-13-26(23-37-29)41-19-5-17-38-41;/h1-20,23H;/q-2;+2.

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

platinum(2+);2-[9-[2-pyrazol-1-yl-5-(5-pyrazol-1-yl-2-pyridinyl)benzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole has a molecular weight of 778.76 g/mol, XLogP of 8.09, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for platinum(2+);2-[9-[2-pyrazol-1-yl-5-(5-pyrazol-1-yl-2-pyridinyl)benzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole is sourced from PubChem (CID 153285595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).