About 1-[3-[[3-(4-tert-butyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]oxy]benzene-2-id-1-yl]isoquinoline;platinum(2+)
1-[3-[[3-(4-tert-butyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]oxy]benzene-2-id-1-yl]isoquinoline;platinum(2+) (PubChem CID 153428816) has the molecular formula C34H26N2OPt
and a molecular weight of 673.67 g/mol. Its IUPAC name is 1-[3-[[3-(4-tert-butyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]oxy]benzene-2-id-1-yl]isoquinoline;platinum(2+).
Molecular Properties
| Compound Name | 1-[3-[[3-(4-tert-butyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]oxy]benzene-2-id-1-yl]isoquinoline;platinum(2+) |
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| PubChem CID | 153428816 |
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| Molecular Formula | C34H26N2OPt |
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| Molecular Weight | 673.67 g/mol |
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| Exact Mass | 673.17 |
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| IUPAC Name | 1-[3-[[3-(4-tert-butyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]oxy]benzene-2-id-1-yl]isoquinoline;platinum(2+) |
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| SMILES | CC(C)(C)c1ccnc(-c2[c-]c(Oc3[c-]c(-c4nccc5ccccc45)ccc3)c3ccccc3c2)c1.[Pt+2] |
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| InChI | InChI=1S/C34H26N2O.Pt/c1-34(2,3)27-16-18-35-31(22-27)26-19-24-10-5-6-13-29(24)32(21-26)37-28-12-8-11-25(20-28)33-30-14-7-4-9-23(30)15-17-36-33;/h4-19,22H,1-3H3;/q-2;+2 |
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| InChIKey | OSBRQXFEYMITHT-UHFFFAOYSA-N |
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| XLogP | 8.80 |
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| TPSA | 35.01 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 3 |
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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 | 673.67 |
| LogP ≤ 5 | 8.80 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |
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 1-[3-[[3-(4-tert-butyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]oxy]benzene-2-id-1-yl]isoquinoline;platinum(2+)?
The IUPAC name of 1-[3-[[3-(4-tert-butyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]oxy]benzene-2-id-1-yl]isoquinoline;platinum(2+) (CID 153428816) is 1-[3-[[3-(4-tert-butyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]oxy]benzene-2-id-1-yl]isoquinoline;platinum(2+).
What is the SMILES notation for 1-[3-[[3-(4-tert-butyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]oxy]benzene-2-id-1-yl]isoquinoline;platinum(2+)?
The canonical SMILES for 1-[3-[[3-(4-tert-butyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]oxy]benzene-2-id-1-yl]isoquinoline;platinum(2+) is CC(C)(C)c1ccnc(-c2[c-]c(Oc3[c-]c(-c4nccc5ccccc45)ccc3)c3ccccc3c2)c1.[Pt+2].
What is the InChIKey of 1-[3-[[3-(4-tert-butyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]oxy]benzene-2-id-1-yl]isoquinoline;platinum(2+)?
The InChIKey is OSBRQXFEYMITHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H26N2O.Pt/c1-34(2,3)27-16-18-35-31(22-27)26-19-24-10-5-6-13-29(24)32(21-26)37-28-12-8-11-25(20-28)33-30-14-7-4-9-23(30)15-17-36-33;/h4-19,22H,1-3H3;/q-2;+2.
What are the key properties of 1-[3-[[3-(4-tert-butyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]oxy]benzene-2-id-1-yl]isoquinoline;platinum(2+)?
1-[3-[[3-(4-tert-butyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]oxy]benzene-2-id-1-yl]isoquinoline;platinum(2+) has a molecular weight of 673.67 g/mol, XLogP of 8.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[3-(4-tert-butyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]oxy]benzene-2-id-1-yl]isoquinoline;platinum(2+) is sourced from PubChem (CID 153428816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).