tris(1,10-phenanthroline-5,6-dione);ruthenium(2+)

C36H18N6O6Ru+2 — CID 11491079

IUPACtris(1,10-phenanthroline-5,6-dione);ruthenium(2+)
SMILESO=C1C(=O)c2cccnc2-c2ncccc21.O=C1C(=O)c2cccnc2-c2ncccc21.O=C1C(=O)c2cccnc2-c2ncccc21.[Ru+2]
InChIInChI=1S/3C12H6N2O2.Ru/c3*15-11-7-3-1-5-13-9(7)10-8(12(11)16)4-2-6-14-10;/h3*1-6H;/q;;;+2
InChIKeyKQOBGDJBKVJIOQ-UHFFFAOYSA-N
MW731.65 g/mol
LogP4.57
Rot. Bonds

About tris(1,10-phenanthroline-5,6-dione);ruthenium(2+)

tris(1,10-phenanthroline-5,6-dione);ruthenium(2+) (PubChem CID 11491079) has the molecular formula C36H18N6O6Ru+2 and a molecular weight of 731.65 g/mol. Its IUPAC name is tris(1,10-phenanthroline-5,6-dione);ruthenium(2+).

Molecular Properties

Compound Nametris(1,10-phenanthroline-5,6-dione);ruthenium(2+)
PubChem CID11491079
Molecular FormulaC36H18N6O6Ru+2
Molecular Weight731.65 g/mol
Exact Mass732.03
IUPAC Nametris(1,10-phenanthroline-5,6-dione);ruthenium(2+)
SMILESO=C1C(=O)c2cccnc2-c2ncccc21.O=C1C(=O)c2cccnc2-c2ncccc21.O=C1C(=O)c2cccnc2-c2ncccc21.[Ru+2]
InChIInChI=1S/3C12H6N2O2.Ru/c3*15-11-7-3-1-5-13-9(7)10-8(12(11)16)4-2-6-14-10;/h3*1-6H;/q;;;+2
InChIKeyKQOBGDJBKVJIOQ-UHFFFAOYSA-N
XLogP4.57
TPSA179.76 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.65
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1,10-Phenanthroline-5,6-dione
CID 72810
Ascididemin
CID 189219
5H-Quino[6,8-ij][2,7]naphthridin-5-one
CID 388734
9H-Quino[4,2-de][1,10]phenanthrolin-9-one, 2-(2-pyridinyl)-
CID 4595742
6-(Dimethylamino)-2,12,15-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(21),2,4,6,8,10,12,14(19),15,17-decaen-20-one
CID 9862138
9H-Quino[4,2-de][1,10]phenanthrolin-9-one, 2-(4-methylphenyl)-
CID 54608995
11,16-Diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one
CID 72374811
(E)-3-quinoxalin-6-yl-1-[4-[(E)-3-quinoxalin-6-ylprop-2-enoyl]phenyl]prop-2-en-1-one
CID 90671753
1,10-phenanthroline; (E)-3-phenyl-1-(2-pyridyl)prop-2-en-1-one; ruthenium(2+); dihexafluorophosphate
CID 6481873
Benz[b]acridine-6, 12,12'-(3,5-pyridinediyl)bis-
CID 393104
11-(8-Oxo-8h-benzo[mn]pyrido[2,3-b]acridin-3-yl)pyrido[2,3-b]acridine-5,12-dione
CID 393105
11-[5-(5,12-Dioxopyrido[2,3-b]acridin-11-yl)-3-pyridinyl]pyrido[2,3-b]acridine-5,12-dione
CID 393106

Frequently Asked Questions

What is the IUPAC name of tris(1,10-phenanthroline-5,6-dione);ruthenium(2+)?
The IUPAC name of tris(1,10-phenanthroline-5,6-dione);ruthenium(2+) (CID 11491079) is tris(1,10-phenanthroline-5,6-dione);ruthenium(2+).
What is the SMILES notation for tris(1,10-phenanthroline-5,6-dione);ruthenium(2+)?
The canonical SMILES for tris(1,10-phenanthroline-5,6-dione);ruthenium(2+) is O=C1C(=O)c2cccnc2-c2ncccc21.O=C1C(=O)c2cccnc2-c2ncccc21.O=C1C(=O)c2cccnc2-c2ncccc21.[Ru+2].
What is the InChIKey of tris(1,10-phenanthroline-5,6-dione);ruthenium(2+)?
The InChIKey is KQOBGDJBKVJIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C12H6N2O2.Ru/c3*15-11-7-3-1-5-13-9(7)10-8(12(11)16)4-2-6-14-10;/h3*1-6H;/q;;;+2.
What are the key properties of tris(1,10-phenanthroline-5,6-dione);ruthenium(2+)?
tris(1,10-phenanthroline-5,6-dione);ruthenium(2+) has a molecular weight of 731.65 g/mol, XLogP of 4.57, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tris(1,10-phenanthroline-5,6-dione);ruthenium(2+) is sourced from PubChem (CID 11491079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).