1-methyl-3-[3-[9-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]fluoren-9-yl]benzene-2-id-1-yl]-2H-benzimidazol-2-ide;platinum(4+)

C37H28N4Pt — CID 156666861

About 1-methyl-3-[3-[9-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]fluoren-9-yl]benzene-2-id-1-yl]-2H-benzimidazol-2-ide;platinum(4+)

1-methyl-3-[3-[9-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]fluoren-9-yl]benzene-2-id-1-yl]-2H-benzimidazol-2-ide;platinum(4+) (PubChem CID 156666861) has the molecular formula C37H28N4Pt and a molecular weight of 723.74 g/mol. Its IUPAC name is 1-methyl-3-[3-[9-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]fluoren-9-yl]benzene-2-id-1-yl]-2H-benzimidazol-2-ide;platinum(4+).

Molecular Properties

• Compound Name: 1-methyl-3-[3-[9-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]fluoren-9-yl]benzene-2-id-1-yl]-2H-benzimidazol-2-ide;platinum(4+)
• PubChem CID: 156666861
• Molecular Formula: C37H28N4Pt
• Molecular Weight: 723.74 g/mol
• Exact Mass: 723.20
• IUPAC Name: 1-methyl-3-[3-[9-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]fluoren-9-yl]benzene-2-id-1-yl]-2H-benzimidazol-2-ide;platinum(4+)
• SMILES: CN1C=CN(c2[c-]c(C3(c4[c-]c(N5[CH-]N(C)c6ccccc65)ccc4)c4ccccc4-c4ccccc43)ccc2)[CH-]1.[Pt+4]
• InChI: InChI=1S/C37H28N4.Pt/c1-38-21-22-40(25-38)29-13-9-11-27(23-29)37(33-17-5-3-15-31(33)32-16-4-6-18-34(32)37)28-12-10-14-30(24-28)41-26-39(2)35-19-7-8-20-36(35)41;/h3-22,25-26H,1-2H3;/q-4;+4
• InChIKey: ZOLDEGIJBWUCJA-UHFFFAOYSA-N
• XLogP: 7.70
• TPSA: 12.96 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	723.74
LogP ≤ 5	7.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[3-[9-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]fluoren-9-yl]benzene-2-id-1-yl]-2H-benzimidazol-2-ide;platinum(4+)?

The IUPAC name of 1-methyl-3-[3-[9-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]fluoren-9-yl]benzene-2-id-1-yl]-2H-benzimidazol-2-ide;platinum(4+) (CID 156666861) is 1-methyl-3-[3-[9-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]fluoren-9-yl]benzene-2-id-1-yl]-2H-benzimidazol-2-ide;platinum(4+).

What is the SMILES notation for 1-methyl-3-[3-[9-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]fluoren-9-yl]benzene-2-id-1-yl]-2H-benzimidazol-2-ide;platinum(4+)?

The canonical SMILES for 1-methyl-3-[3-[9-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]fluoren-9-yl]benzene-2-id-1-yl]-2H-benzimidazol-2-ide;platinum(4+) is CN1C=CN(c2[c-]c(C3(c4[c-]c(N5[CH-]N(C)c6ccccc65)ccc4)c4ccccc4-c4ccccc43)ccc2)[CH-]1.[Pt+4].

What is the InChIKey of 1-methyl-3-[3-[9-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]fluoren-9-yl]benzene-2-id-1-yl]-2H-benzimidazol-2-ide;platinum(4+)?

The InChIKey is ZOLDEGIJBWUCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H28N4.Pt/c1-38-21-22-40(25-38)29-13-9-11-27(23-29)37(33-17-5-3-15-31(33)32-16-4-6-18-34(32)37)28-12-10-14-30(24-28)41-26-39(2)35-19-7-8-20-36(35)41;/h3-22,25-26H,1-2H3;/q-4;+4.

What are the key properties of 1-methyl-3-[3-[9-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]fluoren-9-yl]benzene-2-id-1-yl]-2H-benzimidazol-2-ide;platinum(4+)?

1-methyl-3-[3-[9-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]fluoren-9-yl]benzene-2-id-1-yl]-2H-benzimidazol-2-ide;platinum(4+) has a molecular weight of 723.74 g/mol, XLogP of 7.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-3-[3-[9-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]fluoren-9-yl]benzene-2-id-1-yl]-2H-benzimidazol-2-ide;platinum(4+) is sourced from PubChem (CID 156666861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).