bis(1,10-phenanthroline);5-pyridin-2-yl-1,2,4-triazine;ruthenium

C32H22N8Ru — CID 155643114

IUPACbis(1,10-phenanthroline);5-pyridin-2-yl-1,2,4-triazine;ruthenium
SMILES[Ru].c1ccc(-c2cnncn2)nc1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/2C12H8N2.C8H6N4.Ru/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-2-4-9-7(3-1)8-5-11-12-6-10-8;/h2*1-8H;1-6H;
InChIKeyYFFXWUUHIZLALO-UHFFFAOYSA-N
MW619.65 g/mol
LogP6.50
Rot. Bonds1

About bis(1,10-phenanthroline);5-pyridin-2-yl-1,2,4-triazine;ruthenium

bis(1,10-phenanthroline);5-pyridin-2-yl-1,2,4-triazine;ruthenium (PubChem CID 155643114) has the molecular formula C32H22N8Ru and a molecular weight of 619.65 g/mol. Its IUPAC name is bis(1,10-phenanthroline);5-pyridin-2-yl-1,2,4-triazine;ruthenium.

Molecular Properties

Compound Namebis(1,10-phenanthroline);5-pyridin-2-yl-1,2,4-triazine;ruthenium
PubChem CID155643114
Molecular FormulaC32H22N8Ru
Molecular Weight619.65 g/mol
Exact Mass620.10
IUPAC Namebis(1,10-phenanthroline);5-pyridin-2-yl-1,2,4-triazine;ruthenium
SMILES[Ru].c1ccc(-c2cnncn2)nc1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/2C12H8N2.C8H6N4.Ru/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-2-4-9-7(3-1)8-5-11-12-6-10-8;/h2*1-8H;1-6H;
InChIKeyYFFXWUUHIZLALO-UHFFFAOYSA-N
XLogP6.50
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.65
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

CID 58385596
CID 58385596
bis(1,10-phenanthroline);ruthenium
CID 15001085
1,10-phenanthroline;2-pyridin-2-ylpyridine;2-quinolin-2-ylquinoline;ruthenium(2+)
CID 138986830
8-pyridin-2-ylquinoline
CID 10982041
2-pyridin-2-ylpyridine;quinolin-8-ol
CID 67892593
1,10-phenanthroline;samarium
CID 174616745
osmium;tris(1,10-phenanthroline)
CID 14251798
iridium(3+);1,10-phenanthroline
CID 175702049
europium;1,10-phenanthroline
CID 20606755
bis(1,10-phenanthroline);dihydrobromide
CID 70430219
bis(2-pyridin-2-ylpyridine);ruthenium
CID 87118114
tris(2-pyridin-2-ylpyridine);ruthenium
CID 6100643

Frequently Asked Questions

What is the IUPAC name of bis(1,10-phenanthroline);5-pyridin-2-yl-1,2,4-triazine;ruthenium?
The IUPAC name of bis(1,10-phenanthroline);5-pyridin-2-yl-1,2,4-triazine;ruthenium (CID 155643114) is bis(1,10-phenanthroline);5-pyridin-2-yl-1,2,4-triazine;ruthenium.
What is the SMILES notation for bis(1,10-phenanthroline);5-pyridin-2-yl-1,2,4-triazine;ruthenium?
The canonical SMILES for bis(1,10-phenanthroline);5-pyridin-2-yl-1,2,4-triazine;ruthenium is [Ru].c1ccc(-c2cnncn2)nc1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of bis(1,10-phenanthroline);5-pyridin-2-yl-1,2,4-triazine;ruthenium?
The InChIKey is YFFXWUUHIZLALO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H8N2.C8H6N4.Ru/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-2-4-9-7(3-1)8-5-11-12-6-10-8;/h2*1-8H;1-6H;.
What are the key properties of bis(1,10-phenanthroline);5-pyridin-2-yl-1,2,4-triazine;ruthenium?
bis(1,10-phenanthroline);5-pyridin-2-yl-1,2,4-triazine;ruthenium has a molecular weight of 619.65 g/mol, XLogP of 6.50, 1 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,10-phenanthroline);5-pyridin-2-yl-1,2,4-triazine;ruthenium is sourced from PubChem (CID 155643114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).