2-[3-[3-(1,4-dimethylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]oxypyridine;platinum(2+)

C22H17N3O2Pt — CID 140695794

IUPAC2-[3-[3-(1,4-dimethylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]oxypyridine;platinum(2+)
SMILESCc1cn(C)c(-c2[c-]c(Oc3[c-]c(Oc4ccccn4)ccc3)ccc2)n1.[Pt+2]
InChIInChI=1S/C22H17N3O2.Pt/c1-16-15-25(2)22(24-16)17-7-5-8-18(13-17)26-19-9-6-10-20(14-19)27-21-11-3-4-12-23-21;/h3-12,15H,1-2H3;/q-2;+2
InChIKeyNRKCKVDXNQBXCA-UHFFFAOYSA-N
MW550.48 g/mol
LogP4.97
Rot. Bonds5

About 2-[3-[3-(1,4-dimethylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]oxypyridine;platinum(2+)

2-[3-[3-(1,4-dimethylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]oxypyridine;platinum(2+) (PubChem CID 140695794) has the molecular formula C22H17N3O2Pt and a molecular weight of 550.48 g/mol. Its IUPAC name is 2-[3-[3-(1,4-dimethylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]oxypyridine;platinum(2+).

Molecular Properties

Compound Name2-[3-[3-(1,4-dimethylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]oxypyridine;platinum(2+)
PubChem CID140695794
Molecular FormulaC22H17N3O2Pt
Molecular Weight550.48 g/mol
Exact Mass550.10
IUPAC Name2-[3-[3-(1,4-dimethylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]oxypyridine;platinum(2+)
SMILESCc1cn(C)c(-c2[c-]c(Oc3[c-]c(Oc4ccccn4)ccc3)ccc2)n1.[Pt+2]
InChIInChI=1S/C22H17N3O2.Pt/c1-16-15-25(2)22(24-16)17-7-5-8-18(13-17)26-19-9-6-10-20(14-19)27-21-11-3-4-12-23-21;/h3-12,15H,1-2H3;/q-2;+2
InChIKeyNRKCKVDXNQBXCA-UHFFFAOYSA-N
XLogP4.97
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500550.48
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(1,4-dimethylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]oxypyridine;platinum(2+)?
The IUPAC name of 2-[3-[3-(1,4-dimethylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]oxypyridine;platinum(2+) (CID 140695794) is 2-[3-[3-(1,4-dimethylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]oxypyridine;platinum(2+).
What is the SMILES notation for 2-[3-[3-(1,4-dimethylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]oxypyridine;platinum(2+)?
The canonical SMILES for 2-[3-[3-(1,4-dimethylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]oxypyridine;platinum(2+) is Cc1cn(C)c(-c2[c-]c(Oc3[c-]c(Oc4ccccn4)ccc3)ccc2)n1.[Pt+2].
What is the InChIKey of 2-[3-[3-(1,4-dimethylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]oxypyridine;platinum(2+)?
The InChIKey is NRKCKVDXNQBXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O2.Pt/c1-16-15-25(2)22(24-16)17-7-5-8-18(13-17)26-19-9-6-10-20(14-19)27-21-11-3-4-12-23-21;/h3-12,15H,1-2H3;/q-2;+2.
What are the key properties of 2-[3-[3-(1,4-dimethylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]oxypyridine;platinum(2+)?
2-[3-[3-(1,4-dimethylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]oxypyridine;platinum(2+) has a molecular weight of 550.48 g/mol, XLogP of 4.97, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(1,4-dimethylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]oxypyridine;platinum(2+) is sourced from PubChem (CID 140695794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).