About [3-[1-[[3-(3-methoxybenzene-6-id-1-yl)isoquinolin-1-yl]methyl]isoquinolin-3-yl]benzene-4-id-1-yl]methanol;platinum(2+)
[3-[1-[[3-(3-methoxybenzene-6-id-1-yl)isoquinolin-1-yl]methyl]isoquinolin-3-yl]benzene-4-id-1-yl]methanol;platinum(2+) (PubChem CID 58435392) has the molecular formula C33H24N2O2Pt
and a molecular weight of 675.65 g/mol. Its IUPAC name is [3-[1-[[3-(3-methoxybenzene-6-id-1-yl)isoquinolin-1-yl]methyl]isoquinolin-3-yl]benzene-4-id-1-yl]methanol;platinum(2+).
Molecular Properties
| Compound Name | [3-[1-[[3-(3-methoxybenzene-6-id-1-yl)isoquinolin-1-yl]methyl]isoquinolin-3-yl]benzene-4-id-1-yl]methanol;platinum(2+) |
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| PubChem CID | 58435392 |
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| Molecular Formula | C33H24N2O2Pt |
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| Molecular Weight | 675.65 g/mol |
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| Exact Mass | 675.15 |
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| IUPAC Name | [3-[1-[[3-(3-methoxybenzene-6-id-1-yl)isoquinolin-1-yl]methyl]isoquinolin-3-yl]benzene-4-id-1-yl]methanol;platinum(2+) |
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| SMILES | COc1cc[c-]c(-c2cc3ccccc3c(Cc3nc(-c4[c-]ccc(CO)c4)cc4ccccc34)n2)c1.[Pt+2] |
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| InChI | InChI=1S/C33H24N2O2.Pt/c1-37-27-13-7-12-26(17-27)31-19-24-10-3-5-15-29(24)33(35-31)20-32-28-14-4-2-9-23(28)18-30(34-32)25-11-6-8-22(16-25)21-36;/h2-10,13-19,36H,20-21H2,1H3;/q-2;+2 |
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| InChIKey | TZHDMZOXSHYLBC-UHFFFAOYSA-N |
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| XLogP | 6.81 |
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| TPSA | 55.24 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 4 |
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| Rotatable Bonds | 6 |
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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 | 675.65 |
| LogP ≤ 5 | 6.81 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 4 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'} |
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Analyze [3-[1-[[3-(3-methoxybenzene-6-id-1-yl)isoquinolin-1-yl]methyl]isoquinolin-3-yl]benzene-4-id-1-yl]methanol;platinum(2+) with MolForge
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Frequently Asked Questions
What is the IUPAC name of [3-[1-[[3-(3-methoxybenzene-6-id-1-yl)isoquinolin-1-yl]methyl]isoquinolin-3-yl]benzene-4-id-1-yl]methanol;platinum(2+)?
The IUPAC name of [3-[1-[[3-(3-methoxybenzene-6-id-1-yl)isoquinolin-1-yl]methyl]isoquinolin-3-yl]benzene-4-id-1-yl]methanol;platinum(2+) (CID 58435392) is [3-[1-[[3-(3-methoxybenzene-6-id-1-yl)isoquinolin-1-yl]methyl]isoquinolin-3-yl]benzene-4-id-1-yl]methanol;platinum(2+).
What is the SMILES notation for [3-[1-[[3-(3-methoxybenzene-6-id-1-yl)isoquinolin-1-yl]methyl]isoquinolin-3-yl]benzene-4-id-1-yl]methanol;platinum(2+)?
The canonical SMILES for [3-[1-[[3-(3-methoxybenzene-6-id-1-yl)isoquinolin-1-yl]methyl]isoquinolin-3-yl]benzene-4-id-1-yl]methanol;platinum(2+) is COc1cc[c-]c(-c2cc3ccccc3c(Cc3nc(-c4[c-]ccc(CO)c4)cc4ccccc34)n2)c1.[Pt+2].
What is the InChIKey of [3-[1-[[3-(3-methoxybenzene-6-id-1-yl)isoquinolin-1-yl]methyl]isoquinolin-3-yl]benzene-4-id-1-yl]methanol;platinum(2+)?
The InChIKey is TZHDMZOXSHYLBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H24N2O2.Pt/c1-37-27-13-7-12-26(17-27)31-19-24-10-3-5-15-29(24)33(35-31)20-32-28-14-4-2-9-23(28)18-30(34-32)25-11-6-8-22(16-25)21-36;/h2-10,13-19,36H,20-21H2,1H3;/q-2;+2.
What are the key properties of [3-[1-[[3-(3-methoxybenzene-6-id-1-yl)isoquinolin-1-yl]methyl]isoquinolin-3-yl]benzene-4-id-1-yl]methanol;platinum(2+)?
[3-[1-[[3-(3-methoxybenzene-6-id-1-yl)isoquinolin-1-yl]methyl]isoquinolin-3-yl]benzene-4-id-1-yl]methanol;platinum(2+) has a molecular weight of 675.65 g/mol, XLogP of 6.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[1-[[3-(3-methoxybenzene-6-id-1-yl)isoquinolin-1-yl]methyl]isoquinolin-3-yl]benzene-4-id-1-yl]methanol;platinum(2+) is sourced from PubChem (CID 58435392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).