11,12-dimethylquinoxalino[2,3-f][1,10]phenanthroline;bis(pyrazino[2,3-f]quinoxaline);ruthenium

C40H26N12Ru — CID 70789262

IUPAC11,12-dimethylquinoxalino[2,3-f][1,10]phenanthroline;bis(pyrazino[2,3-f]quinoxaline);ruthenium
SMILESCc1cc2nc3c4cccnc4c4ncccc4c3nc2cc1C.[Ru].c1cnc2c(ccc3nccnc32)n1.c1cnc2c(ccc3nccnc32)n1
InChIInChI=1S/C20H14N4.2C10H6N4.Ru/c1-11-9-15-16(10-12(11)2)24-20-14-6-4-8-22-18(14)17-13(19(20)23-15)5-3-7-21-17;2*1-2-8-10(14-6-4-12-8)9-7(1)11-3-5-13-9;/h3-10H,1-2H3;2*1-6H;
InChIKeyNVTFVDUXUMCFMS-UHFFFAOYSA-N
MW775.80 g/mol
LogP7.64
Rot. Bonds

About 11,12-dimethylquinoxalino[2,3-f][1,10]phenanthroline;bis(pyrazino[2,3-f]quinoxaline);ruthenium

11,12-dimethylquinoxalino[2,3-f][1,10]phenanthroline;bis(pyrazino[2,3-f]quinoxaline);ruthenium (PubChem CID 70789262) has the molecular formula C40H26N12Ru and a molecular weight of 775.80 g/mol. Its IUPAC name is 11,12-dimethylquinoxalino[2,3-f][1,10]phenanthroline;bis(pyrazino[2,3-f]quinoxaline);ruthenium.

Molecular Properties

Compound Name11,12-dimethylquinoxalino[2,3-f][1,10]phenanthroline;bis(pyrazino[2,3-f]quinoxaline);ruthenium
PubChem CID70789262
Molecular FormulaC40H26N12Ru
Molecular Weight775.80 g/mol
Exact Mass776.14
IUPAC Name11,12-dimethylquinoxalino[2,3-f][1,10]phenanthroline;bis(pyrazino[2,3-f]quinoxaline);ruthenium
SMILESCc1cc2nc3c4cccnc4c4ncccc4c3nc2cc1C.[Ru].c1cnc2c(ccc3nccnc32)n1.c1cnc2c(ccc3nccnc32)n1
InChIInChI=1S/C20H14N4.2C10H6N4.Ru/c1-11-9-15-16(10-12(11)2)24-20-14-6-4-8-22-18(14)17-13(19(20)23-15)5-3-7-21-17;2*1-2-8-10(14-6-4-12-8)9-7(1)11-3-5-13-9;/h3-10H,1-2H3;2*1-6H;
InChIKeyNVTFVDUXUMCFMS-UHFFFAOYSA-N
XLogP7.64
TPSA154.68 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms53
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500775.80
LogP ≤ 57.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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 11,12-dimethylquinoxalino[2,3-f][1,10]phenanthroline;bis(pyrazino[2,3-f]quinoxaline);ruthenium?
The IUPAC name of 11,12-dimethylquinoxalino[2,3-f][1,10]phenanthroline;bis(pyrazino[2,3-f]quinoxaline);ruthenium (CID 70789262) is 11,12-dimethylquinoxalino[2,3-f][1,10]phenanthroline;bis(pyrazino[2,3-f]quinoxaline);ruthenium.
What is the SMILES notation for 11,12-dimethylquinoxalino[2,3-f][1,10]phenanthroline;bis(pyrazino[2,3-f]quinoxaline);ruthenium?
The canonical SMILES for 11,12-dimethylquinoxalino[2,3-f][1,10]phenanthroline;bis(pyrazino[2,3-f]quinoxaline);ruthenium is Cc1cc2nc3c4cccnc4c4ncccc4c3nc2cc1C.[Ru].c1cnc2c(ccc3nccnc32)n1.c1cnc2c(ccc3nccnc32)n1.
What is the InChIKey of 11,12-dimethylquinoxalino[2,3-f][1,10]phenanthroline;bis(pyrazino[2,3-f]quinoxaline);ruthenium?
The InChIKey is NVTFVDUXUMCFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4.2C10H6N4.Ru/c1-11-9-15-16(10-12(11)2)24-20-14-6-4-8-22-18(14)17-13(19(20)23-15)5-3-7-21-17;2*1-2-8-10(14-6-4-12-8)9-7(1)11-3-5-13-9;/h3-10H,1-2H3;2*1-6H;.
What are the key properties of 11,12-dimethylquinoxalino[2,3-f][1,10]phenanthroline;bis(pyrazino[2,3-f]quinoxaline);ruthenium?
11,12-dimethylquinoxalino[2,3-f][1,10]phenanthroline;bis(pyrazino[2,3-f]quinoxaline);ruthenium has a molecular weight of 775.80 g/mol, XLogP of 7.64, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 11,12-dimethylquinoxalino[2,3-f][1,10]phenanthroline;bis(pyrazino[2,3-f]quinoxaline);ruthenium is sourced from PubChem (CID 70789262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).