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+) |
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| PubChem CID | 153429106 |
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| Molecular Formula | C33H27N3OPt |
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| Molecular Weight | 676.68 g/mol |
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| Exact Mass | 676.18 |
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| 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+) |
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| SMILES | Cn1c(-c2[c-]c(Oc3[c-]c(-c4cc(C(C)(C)C)ccn4)cc4ccccc34)ccc2)nc2ccccc21.[Pt+2] |
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| 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 |
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| InChIKey | PVETYNPYUZZXGQ-UHFFFAOYSA-N |
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| XLogP | 8.14 |
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| TPSA | 39.94 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 4 |
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| Rotatable Bonds | 4 |
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| Heavy Atoms | 38 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| 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'} |
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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).