2-(1-methyl-6-pyrazol-1-ylbenzimidazol-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+)

C34H22N6Pt — CID 153285204

About 2-(1-methyl-6-pyrazol-1-ylbenzimidazol-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+)

2-(1-methyl-6-pyrazol-1-ylbenzimidazol-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153285204) has the molecular formula C34H22N6Pt and a molecular weight of 709.67 g/mol. Its IUPAC name is 2-(1-methyl-6-pyrazol-1-ylbenzimidazol-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 2-(1-methyl-6-pyrazol-1-ylbenzimidazol-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153285204
• Molecular Formula: C34H22N6Pt
• Molecular Weight: 709.67 g/mol
• Exact Mass: 709.16
• IUPAC Name: 2-(1-methyl-6-pyrazol-1-ylbenzimidazol-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+)
• SMILES: Cn1c(-c2[c-]c3c(cc2)c2ccccc2n3-c2[c-]c(-c3ccccn3)ccc2)nc2ccc(-n3cccn3)cc21.[Pt+2]
• InChI: InChI=1S/C34H22N6.Pt/c1-38-33-22-25(39-19-7-18-36-39)14-16-30(33)37-34(38)24-13-15-28-27-10-2-3-12-31(27)40(32(28)21-24)26-9-6-8-23(20-26)29-11-4-5-17-35-29;/h2-19,22H,1H3;/q-2;+2
• InChIKey: PRPCGEHYHQVLEJ-UHFFFAOYSA-N
• XLogP: 7.18
• TPSA: 53.46 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	709.67
LogP ≤ 5	7.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-6-pyrazol-1-ylbenzimidazol-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 2-(1-methyl-6-pyrazol-1-ylbenzimidazol-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+) (CID 153285204) is 2-(1-methyl-6-pyrazol-1-ylbenzimidazol-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+).

What is the SMILES notation for 2-(1-methyl-6-pyrazol-1-ylbenzimidazol-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+)?

The canonical SMILES for 2-(1-methyl-6-pyrazol-1-ylbenzimidazol-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+) is Cn1c(-c2[c-]c3c(cc2)c2ccccc2n3-c2[c-]c(-c3ccccn3)ccc2)nc2ccc(-n3cccn3)cc21.[Pt+2].

What is the InChIKey of 2-(1-methyl-6-pyrazol-1-ylbenzimidazol-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+)?

The InChIKey is PRPCGEHYHQVLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22N6.Pt/c1-38-33-22-25(39-19-7-18-36-39)14-16-30(33)37-34(38)24-13-15-28-27-10-2-3-12-31(27)40(32(28)21-24)26-9-6-8-23(20-26)29-11-4-5-17-35-29;/h2-19,22H,1H3;/q-2;+2.

What are the key properties of 2-(1-methyl-6-pyrazol-1-ylbenzimidazol-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+)?

2-(1-methyl-6-pyrazol-1-ylbenzimidazol-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 709.67 g/mol, XLogP of 7.18, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1-methyl-6-pyrazol-1-ylbenzimidazol-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153285204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).