CID 59522631

C15H7F2N2Pt- — CID 59522631

IUPAC—
SMILESFC1(F)c2cnc[c-]c2-c2nccc3cccc1c23.[Pt]
InChIInChI=1S/C15H7F2N2.Pt/c16-15(17)11-3-1-2-9-4-7-19-14(13(9)11)10-5-6-18-8-12(10)15;/h1-4,6-8H;/q-1;
InChIKeyXMDKFRWAOUOKHG-UHFFFAOYSA-N
MW448.31 g/mol
LogP3.55
Rot. Bonds

About CID 59522631

CID 59522631 (PubChem CID 59522631) has the molecular formula C15H7F2N2Pt- and a molecular weight of 448.31 g/mol.

Molecular Properties

Compound NameCID 59522631
PubChem CID59522631
Molecular FormulaC15H7F2N2Pt-
Molecular Weight448.31 g/mol
Exact Mass448.02
IUPAC Name—
SMILESFC1(F)c2cnc[c-]c2-c2nccc3cccc1c23.[Pt]
InChIInChI=1S/C15H7F2N2.Pt/c16-15(17)11-3-1-2-9-4-7-19-14(13(9)11)10-5-6-18-8-12(10)15;/h1-4,6-8H;/q-1;
InChIKeyXMDKFRWAOUOKHG-UHFFFAOYSA-N
XLogP3.55
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.31
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 59522631?
The IUPAC name of CID 59522631 (CID 59522631) is not available.
What is the SMILES notation for CID 59522631?
The canonical SMILES for CID 59522631 is FC1(F)c2cnc[c-]c2-c2nccc3cccc1c23.[Pt].
What is the InChIKey of CID 59522631?
The InChIKey is XMDKFRWAOUOKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7F2N2.Pt/c16-15(17)11-3-1-2-9-4-7-19-14(13(9)11)10-5-6-18-8-12(10)15;/h1-4,6-8H;/q-1;.
What are the key properties of CID 59522631?
CID 59522631 has a molecular weight of 448.31 g/mol, XLogP of 3.55, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59522631 is sourced from PubChem (CID 59522631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).