7,8-dimethyl-1H-acenaphthyleno[1,2-d]imidazol-1-ide;platinum;pyridine-2-carboxylic acid

C21H16N3O2Pt- — CID 59515025

IUPAC7,8-dimethyl-1H-acenaphthyleno[1,2-d]imidazol-1-ide;platinum;pyridine-2-carboxylic acid
SMILESCc1nc2c(n1C)-c1cccc3cc[c-]c-2c13.O=C(O)c1ccccn1.[Pt]
InChIInChI=1S/C15H11N2.C6H5NO2.Pt/c1-9-16-14-11-7-3-5-10-6-4-8-12(13(10)11)15(14)17(9)2;8-6(9)5-3-1-2-4-7-5;/h3-6,8H,1-2H3;1-4H,(H,8,9);/q-1;;
InChIKeyQZWKTYBUVBRZNH-UHFFFAOYSA-N
MW537.46 g/mol
LogP4.11
Rot. Bonds1

About 7,8-dimethyl-1H-acenaphthyleno[1,2-d]imidazol-1-ide;platinum;pyridine-2-carboxylic acid

7,8-dimethyl-1H-acenaphthyleno[1,2-d]imidazol-1-ide;platinum;pyridine-2-carboxylic acid (PubChem CID 59515025) has the molecular formula C21H16N3O2Pt- and a molecular weight of 537.46 g/mol. Its IUPAC name is 7,8-dimethyl-1H-acenaphthyleno[1,2-d]imidazol-1-ide;platinum;pyridine-2-carboxylic acid.

Molecular Properties

Compound Name7,8-dimethyl-1H-acenaphthyleno[1,2-d]imidazol-1-ide;platinum;pyridine-2-carboxylic acid
PubChem CID59515025
Molecular FormulaC21H16N3O2Pt-
Molecular Weight537.46 g/mol
Exact Mass537.09
IUPAC Name7,8-dimethyl-1H-acenaphthyleno[1,2-d]imidazol-1-ide;platinum;pyridine-2-carboxylic acid
SMILESCc1nc2c(n1C)-c1cccc3cc[c-]c-2c13.O=C(O)c1ccccn1.[Pt]
InChIInChI=1S/C15H11N2.C6H5NO2.Pt/c1-9-16-14-11-7-3-5-10-6-4-8-12(13(10)11)15(14)17(9)2;8-6(9)5-3-1-2-4-7-5;/h3-6,8H,1-2H3;1-4H,(H,8,9);/q-1;;
InChIKeyQZWKTYBUVBRZNH-UHFFFAOYSA-N
XLogP4.11
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.46
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 7,8-dimethyl-1H-acenaphthyleno[1,2-d]imidazol-1-ide;platinum;pyridine-2-carboxylic acid?
The IUPAC name of 7,8-dimethyl-1H-acenaphthyleno[1,2-d]imidazol-1-ide;platinum;pyridine-2-carboxylic acid (CID 59515025) is 7,8-dimethyl-1H-acenaphthyleno[1,2-d]imidazol-1-ide;platinum;pyridine-2-carboxylic acid.
What is the SMILES notation for 7,8-dimethyl-1H-acenaphthyleno[1,2-d]imidazol-1-ide;platinum;pyridine-2-carboxylic acid?
The canonical SMILES for 7,8-dimethyl-1H-acenaphthyleno[1,2-d]imidazol-1-ide;platinum;pyridine-2-carboxylic acid is Cc1nc2c(n1C)-c1cccc3cc[c-]c-2c13.O=C(O)c1ccccn1.[Pt].
What is the InChIKey of 7,8-dimethyl-1H-acenaphthyleno[1,2-d]imidazol-1-ide;platinum;pyridine-2-carboxylic acid?
The InChIKey is QZWKTYBUVBRZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N2.C6H5NO2.Pt/c1-9-16-14-11-7-3-5-10-6-4-8-12(13(10)11)15(14)17(9)2;8-6(9)5-3-1-2-4-7-5;/h3-6,8H,1-2H3;1-4H,(H,8,9);/q-1;;.
What are the key properties of 7,8-dimethyl-1H-acenaphthyleno[1,2-d]imidazol-1-ide;platinum;pyridine-2-carboxylic acid?
7,8-dimethyl-1H-acenaphthyleno[1,2-d]imidazol-1-ide;platinum;pyridine-2-carboxylic acid has a molecular weight of 537.46 g/mol, XLogP of 4.11, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethyl-1H-acenaphthyleno[1,2-d]imidazol-1-ide;platinum;pyridine-2-carboxylic acid is sourced from PubChem (CID 59515025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).