7-(1-methylbenzimidazol-2-yl)-5-[[7-(1-methylbenzimidazol-2-yl)-6H-isoquinolin-6-id-5-yl]oxy]-6H-isoquinolin-6-ide;platinum(2+)

C₃₄H₂₂N₆OPt — CID 153428831

About 7-(1-methylbenzimidazol-2-yl)-5-[[7-(1-methylbenzimidazol-2-yl)-6H-isoquinolin-6-id-5-yl]oxy]-6H-isoquinolin-6-ide;platinum(2+)

7-(1-methylbenzimidazol-2-yl)-5-[[7-(1-methylbenzimidazol-2-yl)-6H-isoquinolin-6-id-5-yl]oxy]-6H-isoquinolin-6-ide;platinum(2+) (PubChem CID 153428831) has the molecular formula C₃₄H₂₂N₆OPt and a molecular weight of 725.67 g/mol. Its IUPAC name is 7-(1-methylbenzimidazol-2-yl)-5-[[7-(1-methylbenzimidazol-2-yl)-6H-isoquinolin-6-id-5-yl]oxy]-6H-isoquinolin-6-ide;platinum(2+).

Molecular Properties

• Compound Name: 7-(1-methylbenzimidazol-2-yl)-5-[[7-(1-methylbenzimidazol-2-yl)-6H-isoquinolin-6-id-5-yl]oxy]-6H-isoquinolin-6-ide;platinum(2+)
• PubChem CID: 153428831
• Molecular Formula: C₃₄H₂₂N₆OPt
• Molecular Weight: 725.67 g/mol
• Exact Mass: 725.15
• IUPAC Name: 7-(1-methylbenzimidazol-2-yl)-5-[[7-(1-methylbenzimidazol-2-yl)-6H-isoquinolin-6-id-5-yl]oxy]-6H-isoquinolin-6-ide;platinum(2+)
• SMILES: Cn1c(-c2[c-]c(Oc3[c-]c(-c4nc5ccccc5n4C)cc4cnccc34)c3ccncc3c2)nc2ccccc21.[Pt+2]
• InChI: InChI=1S/C34H22N6O.Pt/c1-39-29-9-5-3-7-27(29)37-33(39)21-15-23-19-35-13-11-25(23)31(17-21)41-32-18-22(16-24-20-36-14-12-26(24)32)34-38-28-8-4-6-10-30(28)40(34)2;/h3-16,19-20H,1-2H3;/q-2;+2
• InChIKey: PDJMEBGHTVRGOH-UHFFFAOYSA-N
• XLogP: 7.28
• TPSA: 70.65 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	725.67
LogP ≤ 5	7.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-(1-methylbenzimidazol-2-yl)-5-[[7-(1-methylbenzimidazol-2-yl)-6H-isoquinolin-6-id-5-yl]oxy]-6H-isoquinolin-6-ide;platinum(2+)?

The IUPAC name of 7-(1-methylbenzimidazol-2-yl)-5-[[7-(1-methylbenzimidazol-2-yl)-6H-isoquinolin-6-id-5-yl]oxy]-6H-isoquinolin-6-ide;platinum(2+) (CID 153428831) is 7-(1-methylbenzimidazol-2-yl)-5-[[7-(1-methylbenzimidazol-2-yl)-6H-isoquinolin-6-id-5-yl]oxy]-6H-isoquinolin-6-ide;platinum(2+).

What is the SMILES notation for 7-(1-methylbenzimidazol-2-yl)-5-[[7-(1-methylbenzimidazol-2-yl)-6H-isoquinolin-6-id-5-yl]oxy]-6H-isoquinolin-6-ide;platinum(2+)?

The canonical SMILES for 7-(1-methylbenzimidazol-2-yl)-5-[[7-(1-methylbenzimidazol-2-yl)-6H-isoquinolin-6-id-5-yl]oxy]-6H-isoquinolin-6-ide;platinum(2+) is Cn1c(-c2[c-]c(Oc3[c-]c(-c4nc5ccccc5n4C)cc4cnccc34)c3ccncc3c2)nc2ccccc21.[Pt+2].

What is the InChIKey of 7-(1-methylbenzimidazol-2-yl)-5-[[7-(1-methylbenzimidazol-2-yl)-6H-isoquinolin-6-id-5-yl]oxy]-6H-isoquinolin-6-ide;platinum(2+)?

The InChIKey is PDJMEBGHTVRGOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22N6O.Pt/c1-39-29-9-5-3-7-27(29)37-33(39)21-15-23-19-35-13-11-25(23)31(17-21)41-32-18-22(16-24-20-36-14-12-26(24)32)34-38-28-8-4-6-10-30(28)40(34)2;/h3-16,19-20H,1-2H3;/q-2;+2.

What are the key properties of 7-(1-methylbenzimidazol-2-yl)-5-[[7-(1-methylbenzimidazol-2-yl)-6H-isoquinolin-6-id-5-yl]oxy]-6H-isoquinolin-6-ide;platinum(2+)?

7-(1-methylbenzimidazol-2-yl)-5-[[7-(1-methylbenzimidazol-2-yl)-6H-isoquinolin-6-id-5-yl]oxy]-6H-isoquinolin-6-ide;platinum(2+) has a molecular weight of 725.67 g/mol, XLogP of 7.28, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(1-methylbenzimidazol-2-yl)-5-[[7-(1-methylbenzimidazol-2-yl)-6H-isoquinolin-6-id-5-yl]oxy]-6H-isoquinolin-6-ide;platinum(2+) is sourced from PubChem (CID 153428831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 153428831 — identifiers, structure, computed properties (public domain)

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