bis(5-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-5-pyrazol-1-id-3-ylindeno[1,2-c]pyridine);platinum

C50H36N10Pt2-6 — CID 155609561

About bis(5-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-5-pyrazol-1-id-3-ylindeno[1,2-c]pyridine);platinum

bis(5-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-5-pyrazol-1-id-3-ylindeno[1,2-c]pyridine);platinum (PubChem CID 155609561) has the molecular formula C50H36N10Pt2-6 and a molecular weight of 1167.06 g/mol. Its IUPAC name is bis(5-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-5-pyrazol-1-id-3-ylindeno[1,2-c]pyridine);platinum.

Molecular Properties

• Compound Name: bis(5-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-5-pyrazol-1-id-3-ylindeno[1,2-c]pyridine);platinum
• PubChem CID: 155609561
• Molecular Formula: C50H36N10Pt2-6
• Molecular Weight: 1167.06 g/mol
• Exact Mass: 1166.25
• IUPAC Name: bis(5-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-5-pyrazol-1-id-3-ylindeno[1,2-c]pyridine);platinum
• SMILES: CN1C=CN(c2[c-]c(C3(c4cc[n-]n4)c4ccccc4-c4cnccc43)ccc2)[CH-]1.CN1C=CN(c2[c-]c(C3(c4cc[n-]n4)c4ccccc4-c4cnccc43)ccc2)[CH-]1.[Pt].[Pt]
• InChI: InChI=1S/2C25H18N5.2Pt/c2*1-29-13-14-30(17-29)19-6-4-5-18(15-19)25(24-10-12-27-28-24)22-8-3-2-7-20(22)21-16-26-11-9-23(21)25;;/h2*2-14,16-17H,1H3;;/q2*-3
• InChIKey: QEFRAAATSWIULN-UHFFFAOYSA-N
• XLogP: 7.87
• TPSA: 92.72 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1167.06
LogP ≤ 5	7.87
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 bis(5-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-5-pyrazol-1-id-3-ylindeno[1,2-c]pyridine);platinum?

The IUPAC name of bis(5-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-5-pyrazol-1-id-3-ylindeno[1,2-c]pyridine);platinum (CID 155609561) is bis(5-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-5-pyrazol-1-id-3-ylindeno[1,2-c]pyridine);platinum.

What is the SMILES notation for bis(5-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-5-pyrazol-1-id-3-ylindeno[1,2-c]pyridine);platinum?

The canonical SMILES for bis(5-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-5-pyrazol-1-id-3-ylindeno[1,2-c]pyridine);platinum is CN1C=CN(c2[c-]c(C3(c4cc[n-]n4)c4ccccc4-c4cnccc43)ccc2)[CH-]1.CN1C=CN(c2[c-]c(C3(c4cc[n-]n4)c4ccccc4-c4cnccc43)ccc2)[CH-]1.[Pt].[Pt].

What is the InChIKey of bis(5-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-5-pyrazol-1-id-3-ylindeno[1,2-c]pyridine);platinum?

The InChIKey is QEFRAAATSWIULN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H18N5.2Pt/c2*1-29-13-14-30(17-29)19-6-4-5-18(15-19)25(24-10-12-27-28-24)22-8-3-2-7-20(22)21-16-26-11-9-23(21)25;;/h2*2-14,16-17H,1H3;;/q2*-3;;.

What are the key properties of bis(5-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-5-pyrazol-1-id-3-ylindeno[1,2-c]pyridine);platinum?

bis(5-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-5-pyrazol-1-id-3-ylindeno[1,2-c]pyridine);platinum has a molecular weight of 1167.06 g/mol, XLogP of 7.87, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for bis(5-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-5-pyrazol-1-id-3-ylindeno[1,2-c]pyridine);platinum is sourced from PubChem (CID 155609561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).