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

C38H20F2N12Ru — CID 78350445

IUPAC11,12-difluoroquinoxalino[2,3-f][1,10]phenanthroline;bis(pyrazino[2,3-f]quinoxaline);ruthenium
SMILESFc1cc2nc3c4cccnc4c4ncccc4c3nc2cc1F.[Ru].c1cnc2c(ccc3nccnc32)n1.c1cnc2c(ccc3nccnc32)n1
InChIInChI=1S/C18H8F2N4.2C10H6N4.Ru/c19-11-7-13-14(8-12(11)20)24-18-10-4-2-6-22-16(10)15-9(17(18)23-13)3-1-5-21-15;2*1-2-8-10(14-6-4-12-8)9-7(1)11-3-5-13-9;/h1-8H;2*1-6H;
InChIKeyCDEWKUOLNPNQLZ-UHFFFAOYSA-N
MW783.73 g/mol
LogP7.30
Rot. Bonds

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

11,12-difluoroquinoxalino[2,3-f][1,10]phenanthroline;bis(pyrazino[2,3-f]quinoxaline);ruthenium (PubChem CID 78350445) has the molecular formula C38H20F2N12Ru and a molecular weight of 783.73 g/mol. Its IUPAC name is 11,12-difluoroquinoxalino[2,3-f][1,10]phenanthroline;bis(pyrazino[2,3-f]quinoxaline);ruthenium.

Molecular Properties

Compound Name11,12-difluoroquinoxalino[2,3-f][1,10]phenanthroline;bis(pyrazino[2,3-f]quinoxaline);ruthenium
PubChem CID78350445
Molecular FormulaC38H20F2N12Ru
Molecular Weight783.73 g/mol
Exact Mass784.09
IUPAC Name11,12-difluoroquinoxalino[2,3-f][1,10]phenanthroline;bis(pyrazino[2,3-f]quinoxaline);ruthenium
SMILESFc1cc2nc3c4cccnc4c4ncccc4c3nc2cc1F.[Ru].c1cnc2c(ccc3nccnc32)n1.c1cnc2c(ccc3nccnc32)n1
InChIInChI=1S/C18H8F2N4.2C10H6N4.Ru/c19-11-7-13-14(8-12(11)20)24-18-10-4-2-6-22-16(10)15-9(17(18)23-13)3-1-5-21-15;2*1-2-8-10(14-6-4-12-8)9-7(1)11-3-5-13-9;/h1-8H;2*1-6H;
InChIKeyCDEWKUOLNPNQLZ-UHFFFAOYSA-N
XLogP7.30
TPSA154.68 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms53
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500783.73
LogP ≤ 57.30
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-difluoroquinoxalino[2,3-f][1,10]phenanthroline;bis(pyrazino[2,3-f]quinoxaline);ruthenium?
The IUPAC name of 11,12-difluoroquinoxalino[2,3-f][1,10]phenanthroline;bis(pyrazino[2,3-f]quinoxaline);ruthenium (CID 78350445) is 11,12-difluoroquinoxalino[2,3-f][1,10]phenanthroline;bis(pyrazino[2,3-f]quinoxaline);ruthenium.
What is the SMILES notation for 11,12-difluoroquinoxalino[2,3-f][1,10]phenanthroline;bis(pyrazino[2,3-f]quinoxaline);ruthenium?
The canonical SMILES for 11,12-difluoroquinoxalino[2,3-f][1,10]phenanthroline;bis(pyrazino[2,3-f]quinoxaline);ruthenium is Fc1cc2nc3c4cccnc4c4ncccc4c3nc2cc1F.[Ru].c1cnc2c(ccc3nccnc32)n1.c1cnc2c(ccc3nccnc32)n1.
What is the InChIKey of 11,12-difluoroquinoxalino[2,3-f][1,10]phenanthroline;bis(pyrazino[2,3-f]quinoxaline);ruthenium?
The InChIKey is CDEWKUOLNPNQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H8F2N4.2C10H6N4.Ru/c19-11-7-13-14(8-12(11)20)24-18-10-4-2-6-22-16(10)15-9(17(18)23-13)3-1-5-21-15;2*1-2-8-10(14-6-4-12-8)9-7(1)11-3-5-13-9;/h1-8H;2*1-6H;.
What are the key properties of 11,12-difluoroquinoxalino[2,3-f][1,10]phenanthroline;bis(pyrazino[2,3-f]quinoxaline);ruthenium?
11,12-difluoroquinoxalino[2,3-f][1,10]phenanthroline;bis(pyrazino[2,3-f]quinoxaline);ruthenium has a molecular weight of 783.73 g/mol, XLogP of 7.30, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 11,12-difluoroquinoxalino[2,3-f][1,10]phenanthroline;bis(pyrazino[2,3-f]quinoxaline);ruthenium is sourced from PubChem (CID 78350445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).