1-methyl-4-[[8-(1-methylimidazol-4-yl)oxy-1,9-dihydrodibenzofuran-1,9-diid-2-yl]oxy]imidazole;platinum(2+)

C20H14N4O3Pt — CID 153433322

IUPAC1-methyl-4-[[8-(1-methylimidazol-4-yl)oxy-1,9-dihydrodibenzofuran-1,9-diid-2-yl]oxy]imidazole;platinum(2+)
SMILESCn1cnc(Oc2[c-]c3c(cc2)oc2ccc(Oc4cn(C)cn4)[c-]c23)c1.[Pt+2]
InChIInChI=1S/C20H14N4O3.Pt/c1-23-9-19(21-11-23)25-13-3-5-17-15(7-13)16-8-14(4-6-18(16)27-17)26-20-10-24(2)12-22-20;/h3-6,9-12H,1-2H3;/q-2;+2
InChIKeyHOJRQFMMVRICKW-UHFFFAOYSA-N
MW553.44 g/mol
LogP4.24
Rot. Bonds4

About 1-methyl-4-[[8-(1-methylimidazol-4-yl)oxy-1,9-dihydrodibenzofuran-1,9-diid-2-yl]oxy]imidazole;platinum(2+)

1-methyl-4-[[8-(1-methylimidazol-4-yl)oxy-1,9-dihydrodibenzofuran-1,9-diid-2-yl]oxy]imidazole;platinum(2+) (PubChem CID 153433322) has the molecular formula C20H14N4O3Pt and a molecular weight of 553.44 g/mol. Its IUPAC name is 1-methyl-4-[[8-(1-methylimidazol-4-yl)oxy-1,9-dihydrodibenzofuran-1,9-diid-2-yl]oxy]imidazole;platinum(2+).

Molecular Properties

Compound Name1-methyl-4-[[8-(1-methylimidazol-4-yl)oxy-1,9-dihydrodibenzofuran-1,9-diid-2-yl]oxy]imidazole;platinum(2+)
PubChem CID153433322
Molecular FormulaC20H14N4O3Pt
Molecular Weight553.44 g/mol
Exact Mass553.07
IUPAC Name1-methyl-4-[[8-(1-methylimidazol-4-yl)oxy-1,9-dihydrodibenzofuran-1,9-diid-2-yl]oxy]imidazole;platinum(2+)
SMILESCn1cnc(Oc2[c-]c3c(cc2)oc2ccc(Oc4cn(C)cn4)[c-]c23)c1.[Pt+2]
InChIInChI=1S/C20H14N4O3.Pt/c1-23-9-19(21-11-23)25-13-3-5-17-15(7-13)16-8-14(4-6-18(16)27-17)26-20-10-24(2)12-22-20;/h3-6,9-12H,1-2H3;/q-2;+2
InChIKeyHOJRQFMMVRICKW-UHFFFAOYSA-N
XLogP4.24
TPSA67.24 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500553.44
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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-methyl-4-[[8-(1-methylimidazol-4-yl)oxy-1,9-dihydrodibenzofuran-1,9-diid-2-yl]oxy]imidazole;platinum(2+)?
The IUPAC name of 1-methyl-4-[[8-(1-methylimidazol-4-yl)oxy-1,9-dihydrodibenzofuran-1,9-diid-2-yl]oxy]imidazole;platinum(2+) (CID 153433322) is 1-methyl-4-[[8-(1-methylimidazol-4-yl)oxy-1,9-dihydrodibenzofuran-1,9-diid-2-yl]oxy]imidazole;platinum(2+).
What is the SMILES notation for 1-methyl-4-[[8-(1-methylimidazol-4-yl)oxy-1,9-dihydrodibenzofuran-1,9-diid-2-yl]oxy]imidazole;platinum(2+)?
The canonical SMILES for 1-methyl-4-[[8-(1-methylimidazol-4-yl)oxy-1,9-dihydrodibenzofuran-1,9-diid-2-yl]oxy]imidazole;platinum(2+) is Cn1cnc(Oc2[c-]c3c(cc2)oc2ccc(Oc4cn(C)cn4)[c-]c23)c1.[Pt+2].
What is the InChIKey of 1-methyl-4-[[8-(1-methylimidazol-4-yl)oxy-1,9-dihydrodibenzofuran-1,9-diid-2-yl]oxy]imidazole;platinum(2+)?
The InChIKey is HOJRQFMMVRICKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4O3.Pt/c1-23-9-19(21-11-23)25-13-3-5-17-15(7-13)16-8-14(4-6-18(16)27-17)26-20-10-24(2)12-22-20;/h3-6,9-12H,1-2H3;/q-2;+2.
What are the key properties of 1-methyl-4-[[8-(1-methylimidazol-4-yl)oxy-1,9-dihydrodibenzofuran-1,9-diid-2-yl]oxy]imidazole;platinum(2+)?
1-methyl-4-[[8-(1-methylimidazol-4-yl)oxy-1,9-dihydrodibenzofuran-1,9-diid-2-yl]oxy]imidazole;platinum(2+) has a molecular weight of 553.44 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[[8-(1-methylimidazol-4-yl)oxy-1,9-dihydrodibenzofuran-1,9-diid-2-yl]oxy]imidazole;platinum(2+) is sourced from PubChem (CID 153433322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).