bis(8-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-8-pyrazol-1-id-3-yl-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene);platinum

C56H38N12Pt2-6 — CID 155609621

About bis(8-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-8-pyrazol-1-id-3-yl-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene);platinum

bis(8-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-8-pyrazol-1-id-3-yl-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene);platinum (PubChem CID 155609621) has the molecular formula C56H38N12Pt2-6 and a molecular weight of 1269.16 g/mol. Its IUPAC name is bis(8-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-8-pyrazol-1-id-3-yl-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene);platinum.

Molecular Properties

• Compound Name: bis(8-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-8-pyrazol-1-id-3-yl-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene);platinum
• PubChem CID: 155609621
• Molecular Formula: C56H38N12Pt2-6
• Molecular Weight: 1269.16 g/mol
• Exact Mass: 1268.27
• IUPAC Name: bis(8-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-8-pyrazol-1-id-3-yl-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene);platinum
• SMILES: CN1[CH-]N(c2[c-]c(C3(c4cc[n-]n4)c4cnccc4-c4ccncc43)ccc2)c2ccccc21.CN1[CH-]N(c2[c-]c(C3(c4cc[n-]n4)c4cnccc4-c4ccncc43)ccc2)c2ccccc21.[Pt].[Pt]
• InChI: InChI=1S/2C28H19N6.2Pt/c2*1-33-18-34(26-8-3-2-7-25(26)33)20-6-4-5-19(15-20)28(27-11-14-31-32-27)23-16-29-12-9-21(23)22-10-13-30-17-24(22)28;;/h2*2-14,16-18H,1H3;;/q2*-3
• InChIKey: CNVMLQMXMIBJBN-UHFFFAOYSA-N
• XLogP: 9.39
• TPSA: 118.50 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1269.16
LogP ≤ 5	9.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(8-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-8-pyrazol-1-id-3-yl-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene);platinum?

The IUPAC name of bis(8-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-8-pyrazol-1-id-3-yl-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene);platinum (CID 155609621) is bis(8-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-8-pyrazol-1-id-3-yl-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene);platinum.

What is the SMILES notation for bis(8-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-8-pyrazol-1-id-3-yl-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene);platinum?

The canonical SMILES for bis(8-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-8-pyrazol-1-id-3-yl-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene);platinum is CN1[CH-]N(c2[c-]c(C3(c4cc[n-]n4)c4cnccc4-c4ccncc43)ccc2)c2ccccc21.CN1[CH-]N(c2[c-]c(C3(c4cc[n-]n4)c4cnccc4-c4ccncc43)ccc2)c2ccccc21.[Pt].[Pt].

What is the InChIKey of bis(8-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-8-pyrazol-1-id-3-yl-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene);platinum?

The InChIKey is CNVMLQMXMIBJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C28H19N6.2Pt/c2*1-33-18-34(26-8-3-2-7-25(26)33)20-6-4-5-19(15-20)28(27-11-14-31-32-27)23-16-29-12-9-21(23)22-10-13-30-17-24(22)28;;/h2*2-14,16-18H,1H3;;/q2*-3;;.

What are the key properties of bis(8-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-8-pyrazol-1-id-3-yl-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene);platinum?

bis(8-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-8-pyrazol-1-id-3-yl-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene);platinum has a molecular weight of 1269.16 g/mol, XLogP of 9.39, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for bis(8-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-8-pyrazol-1-id-3-yl-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene);platinum is sourced from PubChem (CID 155609621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).