2-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazole;4-(1-methylimidazol-4-yl)-5-phenylimidazol-3-ide;1-methyl-3-(3-phenylpyrrol-1-id-2-yl)pyrazole;4-(3-phenylpyrrol-1-id-2-yl)-1,3-oxazole;platinum;platinum(2+)

C52H45N11O3Pt3-2 — CID 157305129

IUPAC2-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazole;4-(1-methylimidazol-4-yl)-5-phenylimidazol-3-ide;1-methyl-3-(3-phenylpyrrol-1-id-2-yl)pyrazole;4-(3-phenylpyrrol-1-id-2-yl)-1,3-oxazole;platinum;platinum(2+)
SMILESCOc1c[c-]c(-c2nccn2C)c(OC)c1.Cn1ccc(-c2[n-]ccc2-c2ccccc2)n1.Cn1cnc(-c2[n-]cnc2-c2ccccc2)c1.[Pt+2].[Pt].[Pt].c1ccc(-c2cc[n-]c2-c2cocn2)cc1
InChIInChI=1S/C14H12N3.C13H11N4.C13H9N2O.C12H13N2O2.3Pt/c1-17-10-8-13(16-17)14-12(7-9-15-14)11-5-3-2-4-6-11;1-17-7-11(16-9-17)13-12(14-8-15-13)10-5-3-2-4-6-10;1-2-4-10(5-3-1)11-6-7-14-13(11)12-8-16-9-15-12;1-14-7-6-13-12(14)10-5-4-9(15-2)8-11(10)16-3;;;/h2-10H,1H3;2-9H,1H3;1-9H;4,6-8H,1-3H3;;;/q4*-1;;;+2
InChIKeyXBSNQUMHICVFRX-UHFFFAOYSA-N
MW1457.24 g/mol
LogP9.68
Rot. Bonds9

About 2-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazole;4-(1-methylimidazol-4-yl)-5-phenylimidazol-3-ide;1-methyl-3-(3-phenylpyrrol-1-id-2-yl)pyrazole;4-(3-phenylpyrrol-1-id-2-yl)-1,3-oxazole;platinum;platinum(2+)

2-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazole;4-(1-methylimidazol-4-yl)-5-phenylimidazol-3-ide;1-methyl-3-(3-phenylpyrrol-1-id-2-yl)pyrazole;4-(3-phenylpyrrol-1-id-2-yl)-1,3-oxazole;platinum;platinum(2+) (PubChem CID 157305129) has the molecular formula C52H45N11O3Pt3-2 and a molecular weight of 1457.24 g/mol. Its IUPAC name is 2-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazole;4-(1-methylimidazol-4-yl)-5-phenylimidazol-3-ide;1-methyl-3-(3-phenylpyrrol-1-id-2-yl)pyrazole;4-(3-phenylpyrrol-1-id-2-yl)-1,3-oxazole;platinum;platinum(2+).

Molecular Properties

Compound Name2-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazole;4-(1-methylimidazol-4-yl)-5-phenylimidazol-3-ide;1-methyl-3-(3-phenylpyrrol-1-id-2-yl)pyrazole;4-(3-phenylpyrrol-1-id-2-yl)-1,3-oxazole;platinum;platinum(2+)
PubChem CID157305129
Molecular FormulaC52H45N11O3Pt3-2
Molecular Weight1457.24 g/mol
Exact Mass1456.27
IUPAC Name2-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazole;4-(1-methylimidazol-4-yl)-5-phenylimidazol-3-ide;1-methyl-3-(3-phenylpyrrol-1-id-2-yl)pyrazole;4-(3-phenylpyrrol-1-id-2-yl)-1,3-oxazole;platinum;platinum(2+)
SMILESCOc1c[c-]c(-c2nccn2C)c(OC)c1.Cn1ccc(-c2[n-]ccc2-c2ccccc2)n1.Cn1cnc(-c2[n-]cnc2-c2ccccc2)c1.[Pt+2].[Pt].[Pt].c1ccc(-c2cc[n-]c2-c2cocn2)cc1
InChIInChI=1S/C14H12N3.C13H11N4.C13H9N2O.C12H13N2O2.3Pt/c1-17-10-8-13(16-17)14-12(7-9-15-14)11-5-3-2-4-6-11;1-17-7-11(16-9-17)13-12(14-8-15-13)10-5-3-2-4-6-10;1-2-4-10(5-3-1)11-6-7-14-13(11)12-8-16-9-15-12;1-14-7-6-13-12(14)10-5-4-9(15-2)8-11(10)16-3;;;/h2-10H,1H3;2-9H,1H3;1-9H;4,6-8H,1-3H3;;;/q4*-1;;;+2
InChIKeyXBSNQUMHICVFRX-UHFFFAOYSA-N
XLogP9.68
TPSA153.14 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms69
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001457.24
LogP ≤ 59.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 2-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazole;4-(1-methylimidazol-4-yl)-5-phenylimidazol-3-ide;1-methyl-3-(3-phenylpyrrol-1-id-2-yl)pyrazole;4-(3-phenylpyrrol-1-id-2-yl)-1,3-oxazole;platinum;platinum(2+) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazole;4-(1-methylimidazol-4-yl)-5-phenylimidazol-3-ide;1-methyl-3-(3-phenylpyrrol-1-id-2-yl)pyrazole;4-(3-phenylpyrrol-1-id-2-yl)-1,3-oxazole;platinum;platinum(2+)?
The IUPAC name of 2-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazole;4-(1-methylimidazol-4-yl)-5-phenylimidazol-3-ide;1-methyl-3-(3-phenylpyrrol-1-id-2-yl)pyrazole;4-(3-phenylpyrrol-1-id-2-yl)-1,3-oxazole;platinum;platinum(2+) (CID 157305129) is 2-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazole;4-(1-methylimidazol-4-yl)-5-phenylimidazol-3-ide;1-methyl-3-(3-phenylpyrrol-1-id-2-yl)pyrazole;4-(3-phenylpyrrol-1-id-2-yl)-1,3-oxazole;platinum;platinum(2+).
What is the SMILES notation for 2-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazole;4-(1-methylimidazol-4-yl)-5-phenylimidazol-3-ide;1-methyl-3-(3-phenylpyrrol-1-id-2-yl)pyrazole;4-(3-phenylpyrrol-1-id-2-yl)-1,3-oxazole;platinum;platinum(2+)?
The canonical SMILES for 2-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazole;4-(1-methylimidazol-4-yl)-5-phenylimidazol-3-ide;1-methyl-3-(3-phenylpyrrol-1-id-2-yl)pyrazole;4-(3-phenylpyrrol-1-id-2-yl)-1,3-oxazole;platinum;platinum(2+) is COc1c[c-]c(-c2nccn2C)c(OC)c1.Cn1ccc(-c2[n-]ccc2-c2ccccc2)n1.Cn1cnc(-c2[n-]cnc2-c2ccccc2)c1.[Pt+2].[Pt].[Pt].c1ccc(-c2cc[n-]c2-c2cocn2)cc1.
What is the InChIKey of 2-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazole;4-(1-methylimidazol-4-yl)-5-phenylimidazol-3-ide;1-methyl-3-(3-phenylpyrrol-1-id-2-yl)pyrazole;4-(3-phenylpyrrol-1-id-2-yl)-1,3-oxazole;platinum;platinum(2+)?
The InChIKey is XBSNQUMHICVFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N3.C13H11N4.C13H9N2O.C12H13N2O2.3Pt/c1-17-10-8-13(16-17)14-12(7-9-15-14)11-5-3-2-4-6-11;1-17-7-11(16-9-17)13-12(14-8-15-13)10-5-3-2-4-6-10;1-2-4-10(5-3-1)11-6-7-14-13(11)12-8-16-9-15-12;1-14-7-6-13-12(14)10-5-4-9(15-2)8-11(10)16-3;;;/h2-10H,1H3;2-9H,1H3;1-9H;4,6-8H,1-3H3;;;/q4*-1;;;+2.
What are the key properties of 2-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazole;4-(1-methylimidazol-4-yl)-5-phenylimidazol-3-ide;1-methyl-3-(3-phenylpyrrol-1-id-2-yl)pyrazole;4-(3-phenylpyrrol-1-id-2-yl)-1,3-oxazole;platinum;platinum(2+)?
2-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazole;4-(1-methylimidazol-4-yl)-5-phenylimidazol-3-ide;1-methyl-3-(3-phenylpyrrol-1-id-2-yl)pyrazole;4-(3-phenylpyrrol-1-id-2-yl)-1,3-oxazole;platinum;platinum(2+) has a molecular weight of 1457.24 g/mol, XLogP of 9.68, 9 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazole;4-(1-methylimidazol-4-yl)-5-phenylimidazol-3-ide;1-methyl-3-(3-phenylpyrrol-1-id-2-yl)pyrazole;4-(3-phenylpyrrol-1-id-2-yl)-1,3-oxazole;platinum;platinum(2+) is sourced from PubChem (CID 157305129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).