CID 59522634

C22H13F2N2O2Pt- — CID 59522634

IUPAC—
SMILESFC1(F)c2ccc[c-]c2-c2nccc3cccc1c23.O=C(O)c1ccccn1.[Pt]
InChIInChI=1S/C16H8F2N.C6H5NO2.Pt/c17-16(18)12-6-2-1-5-11(12)15-14-10(8-9-19-15)4-3-7-13(14)16;8-6(9)5-3-1-2-4-7-5;/h1-4,6-9H;1-4H,(H,8,9);/q-1;;
InChIKeyRGADAIGILBLSQS-UHFFFAOYSA-N
MW570.43 g/mol
LogP4.93
Rot. Bonds1

About CID 59522634

CID 59522634 (PubChem CID 59522634) has the molecular formula C22H13F2N2O2Pt- and a molecular weight of 570.43 g/mol.

Molecular Properties

Compound NameCID 59522634
PubChem CID59522634
Molecular FormulaC22H13F2N2O2Pt-
Molecular Weight570.43 g/mol
Exact Mass570.06
IUPAC Name—
SMILESFC1(F)c2ccc[c-]c2-c2nccc3cccc1c23.O=C(O)c1ccccn1.[Pt]
InChIInChI=1S/C16H8F2N.C6H5NO2.Pt/c17-16(18)12-6-2-1-5-11(12)15-14-10(8-9-19-15)4-3-7-13(14)16;8-6(9)5-3-1-2-4-7-5;/h1-4,6-9H;1-4H,(H,8,9);/q-1;;
InChIKeyRGADAIGILBLSQS-UHFFFAOYSA-N
XLogP4.93
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500570.43
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 CID 59522634?
The IUPAC name of CID 59522634 (CID 59522634) is not available.
What is the SMILES notation for CID 59522634?
The canonical SMILES for CID 59522634 is FC1(F)c2ccc[c-]c2-c2nccc3cccc1c23.O=C(O)c1ccccn1.[Pt].
What is the InChIKey of CID 59522634?
The InChIKey is RGADAIGILBLSQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8F2N.C6H5NO2.Pt/c17-16(18)12-6-2-1-5-11(12)15-14-10(8-9-19-15)4-3-7-13(14)16;8-6(9)5-3-1-2-4-7-5;/h1-4,6-9H;1-4H,(H,8,9);/q-1;;.
What are the key properties of CID 59522634?
CID 59522634 has a molecular weight of 570.43 g/mol, XLogP of 4.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59522634 is sourced from PubChem (CID 59522634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).