bis(2,3-bis(4-fluorophenyl)-5H-quinoxalin-5-ide);ruthenium(3+)

C40H22F4N4Ru+ — CID 150299115

IUPACbis(2,3-bis(4-fluorophenyl)-5H-quinoxalin-5-ide);ruthenium(3+)
SMILESFc1ccc(-c2nc3[c-]cccc3nc2-c2ccc(F)cc2)cc1.Fc1ccc(-c2nc3[c-]cccc3nc2-c2ccc(F)cc2)cc1.[Ru+3]
InChIInChI=1S/2C20H11F2N2.Ru/c2*21-15-9-5-13(6-10-15)19-20(14-7-11-16(22)12-8-14)24-18-4-2-1-3-17(18)23-19;/h2*1-3,5-12H;/q2*-1;+3
InChIKeyGRTBMSQUCFPJLS-UHFFFAOYSA-N
MW735.71 g/mol
LogP10.08
Rot. Bonds4

About bis(2,3-bis(4-fluorophenyl)-5H-quinoxalin-5-ide);ruthenium(3+)

bis(2,3-bis(4-fluorophenyl)-5H-quinoxalin-5-ide);ruthenium(3+) (PubChem CID 150299115) has the molecular formula C40H22F4N4Ru+ and a molecular weight of 735.71 g/mol. Its IUPAC name is bis(2,3-bis(4-fluorophenyl)-5H-quinoxalin-5-ide);ruthenium(3+).

Molecular Properties

Compound Namebis(2,3-bis(4-fluorophenyl)-5H-quinoxalin-5-ide);ruthenium(3+)
PubChem CID150299115
Molecular FormulaC40H22F4N4Ru+
Molecular Weight735.71 g/mol
Exact Mass736.08
IUPAC Namebis(2,3-bis(4-fluorophenyl)-5H-quinoxalin-5-ide);ruthenium(3+)
SMILESFc1ccc(-c2nc3[c-]cccc3nc2-c2ccc(F)cc2)cc1.Fc1ccc(-c2nc3[c-]cccc3nc2-c2ccc(F)cc2)cc1.[Ru+3]
InChIInChI=1S/2C20H11F2N2.Ru/c2*21-15-9-5-13(6-10-15)19-20(14-7-11-16(22)12-8-14)24-18-4-2-1-3-17(18)23-19;/h2*1-3,5-12H;/q2*-1;+3
InChIKeyGRTBMSQUCFPJLS-UHFFFAOYSA-N
XLogP10.08
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500735.71
LogP ≤ 510.08
H-Bond Donors ≤ 50
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 bis(2,3-bis(4-fluorophenyl)-5H-quinoxalin-5-ide);ruthenium(3+)?
The IUPAC name of bis(2,3-bis(4-fluorophenyl)-5H-quinoxalin-5-ide);ruthenium(3+) (CID 150299115) is bis(2,3-bis(4-fluorophenyl)-5H-quinoxalin-5-ide);ruthenium(3+).
What is the SMILES notation for bis(2,3-bis(4-fluorophenyl)-5H-quinoxalin-5-ide);ruthenium(3+)?
The canonical SMILES for bis(2,3-bis(4-fluorophenyl)-5H-quinoxalin-5-ide);ruthenium(3+) is Fc1ccc(-c2nc3[c-]cccc3nc2-c2ccc(F)cc2)cc1.Fc1ccc(-c2nc3[c-]cccc3nc2-c2ccc(F)cc2)cc1.[Ru+3].
What is the InChIKey of bis(2,3-bis(4-fluorophenyl)-5H-quinoxalin-5-ide);ruthenium(3+)?
The InChIKey is GRTBMSQUCFPJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H11F2N2.Ru/c2*21-15-9-5-13(6-10-15)19-20(14-7-11-16(22)12-8-14)24-18-4-2-1-3-17(18)23-19;/h2*1-3,5-12H;/q2*-1;+3.
What are the key properties of bis(2,3-bis(4-fluorophenyl)-5H-quinoxalin-5-ide);ruthenium(3+)?
bis(2,3-bis(4-fluorophenyl)-5H-quinoxalin-5-ide);ruthenium(3+) has a molecular weight of 735.71 g/mol, XLogP of 10.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,3-bis(4-fluorophenyl)-5H-quinoxalin-5-ide);ruthenium(3+) is sourced from PubChem (CID 150299115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).