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

C38H21ClN12Ru — CID 71604334

IUPAC11-chloroquinoxalino[2,3-f][1,10]phenanthroline;bis(pyrazino[2,3-f]quinoxaline);ruthenium
SMILESClc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1.[Ru].c1cnc2c(ccc3nccnc32)n1.c1cnc2c(ccc3nccnc32)n1
InChIInChI=1S/C18H9ClN4.2C10H6N4.Ru/c19-10-5-6-13-14(9-10)23-18-12-4-2-8-21-16(12)15-11(17(18)22-13)3-1-7-20-15;2*1-2-8-10(14-6-4-12-8)9-7(1)11-3-5-13-9;/h1-9H;2*1-6H;
InChIKeyIHXXTTWGRQOIGF-UHFFFAOYSA-N
MW782.19 g/mol
LogP7.68
Rot. Bonds

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

11-chloroquinoxalino[2,3-f][1,10]phenanthroline;bis(pyrazino[2,3-f]quinoxaline);ruthenium (PubChem CID 71604334) has the molecular formula C38H21ClN12Ru and a molecular weight of 782.19 g/mol. Its IUPAC name is 11-chloroquinoxalino[2,3-f][1,10]phenanthroline;bis(pyrazino[2,3-f]quinoxaline);ruthenium.

Molecular Properties

Compound Name11-chloroquinoxalino[2,3-f][1,10]phenanthroline;bis(pyrazino[2,3-f]quinoxaline);ruthenium
PubChem CID71604334
Molecular FormulaC38H21ClN12Ru
Molecular Weight782.19 g/mol
Exact Mass782.07
IUPAC Name11-chloroquinoxalino[2,3-f][1,10]phenanthroline;bis(pyrazino[2,3-f]quinoxaline);ruthenium
SMILESClc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1.[Ru].c1cnc2c(ccc3nccnc32)n1.c1cnc2c(ccc3nccnc32)n1
InChIInChI=1S/C18H9ClN4.2C10H6N4.Ru/c19-10-5-6-13-14(9-10)23-18-12-4-2-8-21-16(12)15-11(17(18)22-13)3-1-7-20-15;2*1-2-8-10(14-6-4-12-8)9-7(1)11-3-5-13-9;/h1-9H;2*1-6H;
InChIKeyIHXXTTWGRQOIGF-UHFFFAOYSA-N
XLogP7.68
TPSA154.68 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms52
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500782.19
LogP ≤ 57.68
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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Related Compounds

Delta-[ru(Bpy)2dppz]2+
CID 57336495
Bis(1,10-phenanthroline);quinoxalino[2,3-f][1,10]phenanthroline;ruthenium
CID 57339425
bis(2,2'-bipyridyl)(dipyrido(3,2-alpha-2',3'-c)phenazine)ruthenium (II)
CID 3081615
2,6-Dipyridin-2-ylpyridine;1,10-phenanthroline;ruthenium(2+)
CID 5289316
2,8,11,17,23,26-Hexazaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1,3(16),4(9),5,7,10(15),11,13,17,19(24),20,22,25(30),26,28-pentadecaene;tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+))
CID 45254078
Bis(pyrazino[2,3-f]quinoxaline);quinoxalino[2,3-f][1,10]phenanthroline;ruthenium(2+)
CID 56973553
Bis(pyrazino[2,3-f]quinoxaline);quinoxalino[2,3-f][1,10]phenanthroline;ruthenium(2+)
CID 57261388
(Mu-11,11'-Bidipyrido[3,2-A:2',3'-C]phenazine-1kappa~2~n~4~,N~5~:2kappa~2~n~4'~,N~5'~)[tetrakis(1,10-Phenanthroline-Kappa~2~n~1~,N~10~)]diruthenium
CID 73010381
Ruthenium (bis-(tetraazaphenanthrene)) (11,12-dicyano-dipyridophenazine)
CID 137797019
Tetrakis(2,2'-Bipyridine-Kappa~2~n~1~,N~1'~)(Mu-Tetrapyrido[3,2-A:2',3'-C:3'',2''-H:2''',3'''-J]phenazine-1kappa~2~n~4~,N~5~:2kappa~2~n~13~,N~14~)diruthenium(4+) L Enantiomer
CID 71737795
Bis(2-pyridin-2-ylpyridine);quinoxalino[2,3-f][1,10]phenanthroline;ruthenium
CID 76514831
Tris(1,10-phenanthroline)ruthenium(2+)
CID 9548754

Frequently Asked Questions

What is the IUPAC name of 11-chloroquinoxalino[2,3-f][1,10]phenanthroline;bis(pyrazino[2,3-f]quinoxaline);ruthenium?
The IUPAC name of 11-chloroquinoxalino[2,3-f][1,10]phenanthroline;bis(pyrazino[2,3-f]quinoxaline);ruthenium (CID 71604334) is 11-chloroquinoxalino[2,3-f][1,10]phenanthroline;bis(pyrazino[2,3-f]quinoxaline);ruthenium.
What is the SMILES notation for 11-chloroquinoxalino[2,3-f][1,10]phenanthroline;bis(pyrazino[2,3-f]quinoxaline);ruthenium?
The canonical SMILES for 11-chloroquinoxalino[2,3-f][1,10]phenanthroline;bis(pyrazino[2,3-f]quinoxaline);ruthenium is Clc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1.[Ru].c1cnc2c(ccc3nccnc32)n1.c1cnc2c(ccc3nccnc32)n1.
What is the InChIKey of 11-chloroquinoxalino[2,3-f][1,10]phenanthroline;bis(pyrazino[2,3-f]quinoxaline);ruthenium?
The InChIKey is IHXXTTWGRQOIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9ClN4.2C10H6N4.Ru/c19-10-5-6-13-14(9-10)23-18-12-4-2-8-21-16(12)15-11(17(18)22-13)3-1-7-20-15;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 11-chloroquinoxalino[2,3-f][1,10]phenanthroline;bis(pyrazino[2,3-f]quinoxaline);ruthenium?
11-chloroquinoxalino[2,3-f][1,10]phenanthroline;bis(pyrazino[2,3-f]quinoxaline);ruthenium has a molecular weight of 782.19 g/mol, XLogP of 7.68, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 11-chloroquinoxalino[2,3-f][1,10]phenanthroline;bis(pyrazino[2,3-f]quinoxaline);ruthenium is sourced from PubChem (CID 71604334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).