1-methyl-2-[4-[[3-(1-methylbenzimidazol-2-yl)-2H-naphthalen-2-id-1-yl]oxy]-3H-naphthalen-3-id-2-yl]benzimidazole;platinum(2+)

C₃₆H₂₄N₄OPt — CID 153428966

About 1-methyl-2-[4-[[3-(1-methylbenzimidazol-2-yl)-2H-naphthalen-2-id-1-yl]oxy]-3H-naphthalen-3-id-2-yl]benzimidazole;platinum(2+)

1-methyl-2-[4-[[3-(1-methylbenzimidazol-2-yl)-2H-naphthalen-2-id-1-yl]oxy]-3H-naphthalen-3-id-2-yl]benzimidazole;platinum(2+) (PubChem CID 153428966) has the molecular formula C₃₆H₂₄N₄OPt and a molecular weight of 723.69 g/mol. Its IUPAC name is 1-methyl-2-[4-[[3-(1-methylbenzimidazol-2-yl)-2H-naphthalen-2-id-1-yl]oxy]-3H-naphthalen-3-id-2-yl]benzimidazole;platinum(2+).

Molecular Properties

• Compound Name: 1-methyl-2-[4-[[3-(1-methylbenzimidazol-2-yl)-2H-naphthalen-2-id-1-yl]oxy]-3H-naphthalen-3-id-2-yl]benzimidazole;platinum(2+)
• PubChem CID: 153428966
• Molecular Formula: C₃₆H₂₄N₄OPt
• Molecular Weight: 723.69 g/mol
• Exact Mass: 723.16
• IUPAC Name: 1-methyl-2-[4-[[3-(1-methylbenzimidazol-2-yl)-2H-naphthalen-2-id-1-yl]oxy]-3H-naphthalen-3-id-2-yl]benzimidazole;platinum(2+)
• SMILES: Cn1c(-c2[c-]c(Oc3[c-]c(-c4nc5ccccc5n4C)cc4ccccc34)c3ccccc3c2)nc2ccccc21.[Pt+2]
• InChI: InChI=1S/C36H24N4O.Pt/c1-39-31-17-9-7-15-29(31)37-35(39)25-19-23-11-3-5-13-27(23)33(21-25)41-34-22-26(20-24-12-4-6-14-28(24)34)36-38-30-16-8-10-18-32(30)40(36)2;/h3-20H,1-2H3;/q-2;+2
• InChIKey: UFOBBPOEUANUCU-UHFFFAOYSA-N
• XLogP: 8.49
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	723.69
LogP ≤ 5	8.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[4-[[3-(1-methylbenzimidazol-2-yl)-2H-naphthalen-2-id-1-yl]oxy]-3H-naphthalen-3-id-2-yl]benzimidazole;platinum(2+)?

The IUPAC name of 1-methyl-2-[4-[[3-(1-methylbenzimidazol-2-yl)-2H-naphthalen-2-id-1-yl]oxy]-3H-naphthalen-3-id-2-yl]benzimidazole;platinum(2+) (CID 153428966) is 1-methyl-2-[4-[[3-(1-methylbenzimidazol-2-yl)-2H-naphthalen-2-id-1-yl]oxy]-3H-naphthalen-3-id-2-yl]benzimidazole;platinum(2+).

What is the SMILES notation for 1-methyl-2-[4-[[3-(1-methylbenzimidazol-2-yl)-2H-naphthalen-2-id-1-yl]oxy]-3H-naphthalen-3-id-2-yl]benzimidazole;platinum(2+)?

The canonical SMILES for 1-methyl-2-[4-[[3-(1-methylbenzimidazol-2-yl)-2H-naphthalen-2-id-1-yl]oxy]-3H-naphthalen-3-id-2-yl]benzimidazole;platinum(2+) is Cn1c(-c2[c-]c(Oc3[c-]c(-c4nc5ccccc5n4C)cc4ccccc34)c3ccccc3c2)nc2ccccc21.[Pt+2].

What is the InChIKey of 1-methyl-2-[4-[[3-(1-methylbenzimidazol-2-yl)-2H-naphthalen-2-id-1-yl]oxy]-3H-naphthalen-3-id-2-yl]benzimidazole;platinum(2+)?

The InChIKey is UFOBBPOEUANUCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24N4O.Pt/c1-39-31-17-9-7-15-29(31)37-35(39)25-19-23-11-3-5-13-27(23)33(21-25)41-34-22-26(20-24-12-4-6-14-28(24)34)36-38-30-16-8-10-18-32(30)40(36)2;/h3-20H,1-2H3;/q-2;+2.

What are the key properties of 1-methyl-2-[4-[[3-(1-methylbenzimidazol-2-yl)-2H-naphthalen-2-id-1-yl]oxy]-3H-naphthalen-3-id-2-yl]benzimidazole;platinum(2+)?

1-methyl-2-[4-[[3-(1-methylbenzimidazol-2-yl)-2H-naphthalen-2-id-1-yl]oxy]-3H-naphthalen-3-id-2-yl]benzimidazole;platinum(2+) has a molecular weight of 723.69 g/mol, XLogP of 8.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-2-[4-[[3-(1-methylbenzimidazol-2-yl)-2H-naphthalen-2-id-1-yl]oxy]-3H-naphthalen-3-id-2-yl]benzimidazole;platinum(2+) is sourced from PubChem (CID 153428966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 153428966 — identifiers, structure, computed properties (public domain)

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