bis(pyrazino[2,3-f]quinoxaline);quinoxalino[3,2-f][1,10]phenanthroline-11-carbonitrile;ruthenium

C39H21N13Ru — CID 131955088

IUPACbis(pyrazino[2,3-f]quinoxaline);quinoxalino[3,2-f][1,10]phenanthroline-11-carbonitrile;ruthenium
SMILESN#Cc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1.[Ru].c1cnc2c(ccc3nccnc32)n1.c1cnc2c(ccc3nccnc32)n1
InChIInChI=1S/C19H9N5.2C10H6N4.Ru/c20-10-11-5-6-14-15(9-11)24-19-13-4-2-8-22-17(13)16-12(18(19)23-14)3-1-7-21-16;2*1-2-8-10(14-6-4-12-8)9-7(1)11-3-5-13-9;/h1-9H;2*1-6H;
InChIKeyGFHIFRHRSDPRJS-UHFFFAOYSA-N
MW772.76 g/mol
LogP6.89
Rot. Bonds

About bis(pyrazino[2,3-f]quinoxaline);quinoxalino[3,2-f][1,10]phenanthroline-11-carbonitrile;ruthenium

bis(pyrazino[2,3-f]quinoxaline);quinoxalino[3,2-f][1,10]phenanthroline-11-carbonitrile;ruthenium (PubChem CID 131955088) has the molecular formula C39H21N13Ru and a molecular weight of 772.76 g/mol. Its IUPAC name is bis(pyrazino[2,3-f]quinoxaline);quinoxalino[3,2-f][1,10]phenanthroline-11-carbonitrile;ruthenium.

Molecular Properties

Compound Namebis(pyrazino[2,3-f]quinoxaline);quinoxalino[3,2-f][1,10]phenanthroline-11-carbonitrile;ruthenium
PubChem CID131955088
Molecular FormulaC39H21N13Ru
Molecular Weight772.76 g/mol
Exact Mass773.11
IUPAC Namebis(pyrazino[2,3-f]quinoxaline);quinoxalino[3,2-f][1,10]phenanthroline-11-carbonitrile;ruthenium
SMILESN#Cc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1.[Ru].c1cnc2c(ccc3nccnc32)n1.c1cnc2c(ccc3nccnc32)n1
InChIInChI=1S/C19H9N5.2C10H6N4.Ru/c20-10-11-5-6-14-15(9-11)24-19-13-4-2-8-22-17(13)16-12(18(19)23-14)3-1-7-21-16;2*1-2-8-10(14-6-4-12-8)9-7(1)11-3-5-13-9;/h1-9H;2*1-6H;
InChIKeyGFHIFRHRSDPRJS-UHFFFAOYSA-N
XLogP6.89
TPSA178.47 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds
Heavy Atoms53
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500772.76
LogP ≤ 56.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(pyrazino[2,3-f]quinoxaline);quinoxalino[3,2-f][1,10]phenanthroline-11-carbonitrile;ruthenium?
The IUPAC name of bis(pyrazino[2,3-f]quinoxaline);quinoxalino[3,2-f][1,10]phenanthroline-11-carbonitrile;ruthenium (CID 131955088) is bis(pyrazino[2,3-f]quinoxaline);quinoxalino[3,2-f][1,10]phenanthroline-11-carbonitrile;ruthenium.
What is the SMILES notation for bis(pyrazino[2,3-f]quinoxaline);quinoxalino[3,2-f][1,10]phenanthroline-11-carbonitrile;ruthenium?
The canonical SMILES for bis(pyrazino[2,3-f]quinoxaline);quinoxalino[3,2-f][1,10]phenanthroline-11-carbonitrile;ruthenium is N#Cc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1.[Ru].c1cnc2c(ccc3nccnc32)n1.c1cnc2c(ccc3nccnc32)n1.
What is the InChIKey of bis(pyrazino[2,3-f]quinoxaline);quinoxalino[3,2-f][1,10]phenanthroline-11-carbonitrile;ruthenium?
The InChIKey is GFHIFRHRSDPRJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H9N5.2C10H6N4.Ru/c20-10-11-5-6-14-15(9-11)24-19-13-4-2-8-22-17(13)16-12(18(19)23-14)3-1-7-21-16;2*1-2-8-10(14-6-4-12-8)9-7(1)11-3-5-13-9;/h1-9H;2*1-6H;.
What are the key properties of bis(pyrazino[2,3-f]quinoxaline);quinoxalino[3,2-f][1,10]phenanthroline-11-carbonitrile;ruthenium?
bis(pyrazino[2,3-f]quinoxaline);quinoxalino[3,2-f][1,10]phenanthroline-11-carbonitrile;ruthenium has a molecular weight of 772.76 g/mol, XLogP of 6.89, 0 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for bis(pyrazino[2,3-f]quinoxaline);quinoxalino[3,2-f][1,10]phenanthroline-11-carbonitrile;ruthenium is sourced from PubChem (CID 131955088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).