2-[3-[[3-(4-tert-butyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]oxy]benzene-2-id-1-yl]-1-methylbenzimidazole;platinum(2+)

C₃₃H₂₇N₃OPt — CID 153429106

About 2-[3-[[3-(4-tert-butyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]oxy]benzene-2-id-1-yl]-1-methylbenzimidazole;platinum(2+)

2-[3-[[3-(4-tert-butyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]oxy]benzene-2-id-1-yl]-1-methylbenzimidazole;platinum(2+) (PubChem CID 153429106) has the molecular formula C₃₃H₂₇N₃OPt and a molecular weight of 676.68 g/mol. Its IUPAC name is 2-[3-[[3-(4-tert-butyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]oxy]benzene-2-id-1-yl]-1-methylbenzimidazole;platinum(2+).

Molecular Properties

• Compound Name: 2-[3-[[3-(4-tert-butyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]oxy]benzene-2-id-1-yl]-1-methylbenzimidazole;platinum(2+)
• PubChem CID: 153429106
• Molecular Formula: C₃₃H₂₇N₃OPt
• Molecular Weight: 676.68 g/mol
• Exact Mass: 676.18
• IUPAC Name: 2-[3-[[3-(4-tert-butyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]oxy]benzene-2-id-1-yl]-1-methylbenzimidazole;platinum(2+)
• SMILES: Cn1c(-c2[c-]c(Oc3[c-]c(-c4cc(C(C)(C)C)ccn4)cc4ccccc34)ccc2)nc2ccccc21.[Pt+2]
• InChI: InChI=1S/C33H27N3O.Pt/c1-33(2,3)25-16-17-34-29(21-25)24-18-22-10-5-6-13-27(22)31(20-24)37-26-12-9-11-23(19-26)32-35-28-14-7-8-15-30(28)36(32)4;/h5-18,21H,1-4H3;/q-2;+2
• InChIKey: PVETYNPYUZZXGQ-UHFFFAOYSA-N
• XLogP: 8.14
• TPSA: 39.94 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	676.68
LogP ≤ 5	8.14
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 2-[3-[[3-(4-tert-butyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]oxy]benzene-2-id-1-yl]-1-methylbenzimidazole;platinum(2+)?

The IUPAC name of 2-[3-[[3-(4-tert-butyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]oxy]benzene-2-id-1-yl]-1-methylbenzimidazole;platinum(2+) (CID 153429106) is 2-[3-[[3-(4-tert-butyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]oxy]benzene-2-id-1-yl]-1-methylbenzimidazole;platinum(2+).

What is the SMILES notation for 2-[3-[[3-(4-tert-butyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]oxy]benzene-2-id-1-yl]-1-methylbenzimidazole;platinum(2+)?

The canonical SMILES for 2-[3-[[3-(4-tert-butyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]oxy]benzene-2-id-1-yl]-1-methylbenzimidazole;platinum(2+) is Cn1c(-c2[c-]c(Oc3[c-]c(-c4cc(C(C)(C)C)ccn4)cc4ccccc34)ccc2)nc2ccccc21.[Pt+2].

What is the InChIKey of 2-[3-[[3-(4-tert-butyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]oxy]benzene-2-id-1-yl]-1-methylbenzimidazole;platinum(2+)?

The InChIKey is PVETYNPYUZZXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H27N3O.Pt/c1-33(2,3)25-16-17-34-29(21-25)24-18-22-10-5-6-13-27(22)31(20-24)37-26-12-9-11-23(19-26)32-35-28-14-7-8-15-30(28)36(32)4;/h5-18,21H,1-4H3;/q-2;+2.

What are the key properties of 2-[3-[[3-(4-tert-butyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]oxy]benzene-2-id-1-yl]-1-methylbenzimidazole;platinum(2+)?

2-[3-[[3-(4-tert-butyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]oxy]benzene-2-id-1-yl]-1-methylbenzimidazole;platinum(2+) has a molecular weight of 676.68 g/mol, XLogP of 8.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[[3-(4-tert-butyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]oxy]benzene-2-id-1-yl]-1-methylbenzimidazole;platinum(2+) is sourced from PubChem (CID 153429106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 153429106 — identifiers, structure, computed properties (public domain)

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