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

C37H24N8Pt — CID 153285486

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

2-(1-methylbenzimidazol-2-yl)-9-[2-pyrazol-1-yl-5-(5-pyrazol-1-yl-2-pyridinyl)benzene-6-id-1-yl]-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153285486) has the molecular formula C37H24N8Pt and a molecular weight of 775.73 g/mol. Its IUPAC name is 2-(1-methylbenzimidazol-2-yl)-9-[2-pyrazol-1-yl-5-(5-pyrazol-1-yl-2-pyridinyl)benzene-6-id-1-yl]-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 2-(1-methylbenzimidazol-2-yl)-9-[2-pyrazol-1-yl-5-(5-pyrazol-1-yl-2-pyridinyl)benzene-6-id-1-yl]-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153285486
• Molecular Formula: C37H24N8Pt
• Molecular Weight: 775.73 g/mol
• Exact Mass: 775.18
• IUPAC Name: 2-(1-methylbenzimidazol-2-yl)-9-[2-pyrazol-1-yl-5-(5-pyrazol-1-yl-2-pyridinyl)benzene-6-id-1-yl]-1H-carbazol-1-ide;platinum(2+)
• SMILES: Cn1c(-c2[c-]c3c(cc2)c2ccccc2n3-c2[c-]c(-c3ccc(-n4cccn4)cn3)ccc2-n2cccn2)nc2ccccc21.[Pt+2]
• InChI: InChI=1S/C37H24N8.Pt/c1-42-33-11-5-3-9-31(33)41-37(42)26-12-15-29-28-8-2-4-10-32(28)45(35(29)23-26)36-22-25(13-17-34(36)44-21-7-19-40-44)30-16-14-27(24-38-30)43-20-6-18-39-43;/h2-21,24H,1H3;/q-2;+2
• InChIKey: LQYMHUQBIRSJIJ-UHFFFAOYSA-N
• XLogP: 7.37
• TPSA: 71.28 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	775.73
LogP ≤ 5	7.37
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-(1-methylbenzimidazol-2-yl)-9-[2-pyrazol-1-yl-5-(5-pyrazol-1-yl-2-pyridinyl)benzene-6-id-1-yl]-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 2-(1-methylbenzimidazol-2-yl)-9-[2-pyrazol-1-yl-5-(5-pyrazol-1-yl-2-pyridinyl)benzene-6-id-1-yl]-1H-carbazol-1-ide;platinum(2+) (CID 153285486) is 2-(1-methylbenzimidazol-2-yl)-9-[2-pyrazol-1-yl-5-(5-pyrazol-1-yl-2-pyridinyl)benzene-6-id-1-yl]-1H-carbazol-1-ide;platinum(2+).

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

The canonical SMILES for 2-(1-methylbenzimidazol-2-yl)-9-[2-pyrazol-1-yl-5-(5-pyrazol-1-yl-2-pyridinyl)benzene-6-id-1-yl]-1H-carbazol-1-ide;platinum(2+) is Cn1c(-c2[c-]c3c(cc2)c2ccccc2n3-c2[c-]c(-c3ccc(-n4cccn4)cn3)ccc2-n2cccn2)nc2ccccc21.[Pt+2].

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

The InChIKey is LQYMHUQBIRSJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H24N8.Pt/c1-42-33-11-5-3-9-31(33)41-37(42)26-12-15-29-28-8-2-4-10-32(28)45(35(29)23-26)36-22-25(13-17-34(36)44-21-7-19-40-44)30-16-14-27(24-38-30)43-20-6-18-39-43;/h2-21,24H,1H3;/q-2;+2.

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

2-(1-methylbenzimidazol-2-yl)-9-[2-pyrazol-1-yl-5-(5-pyrazol-1-yl-2-pyridinyl)benzene-6-id-1-yl]-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 775.73 g/mol, XLogP of 7.37, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1-methylbenzimidazol-2-yl)-9-[2-pyrazol-1-yl-5-(5-pyrazol-1-yl-2-pyridinyl)benzene-6-id-1-yl]-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153285486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).