cobalt;ethane;tris(2-pyridin-2-ylpyridine)

C42H60CoN6 — CID 161013986

IUPACcobalt;ethane;tris(2-pyridin-2-ylpyridine)
SMILESCC.CC.CC.CC.CC.CC.[Co].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/3C10H8N2.6C2H6.Co/c3*1-3-7-11-9(5-1)10-6-2-4-8-12-10;6*1-2;/h3*1-8H;6*1-2H3;
InChIKeyTXMGMWNAVKHBNT-UHFFFAOYSA-N
MW707.92 g/mol
LogP12.59
Rot. Bonds3

About cobalt;ethane;tris(2-pyridin-2-ylpyridine)

cobalt;ethane;tris(2-pyridin-2-ylpyridine) (PubChem CID 161013986) has the molecular formula C42H60CoN6 and a molecular weight of 707.92 g/mol. Its IUPAC name is cobalt;ethane;tris(2-pyridin-2-ylpyridine).

Molecular Properties

Compound Namecobalt;ethane;tris(2-pyridin-2-ylpyridine)
PubChem CID161013986
Molecular FormulaC42H60CoN6
Molecular Weight707.92 g/mol
Exact Mass707.42
IUPAC Namecobalt;ethane;tris(2-pyridin-2-ylpyridine)
SMILESCC.CC.CC.CC.CC.CC.[Co].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/3C10H8N2.6C2H6.Co/c3*1-3-7-11-9(5-1)10-6-2-4-8-12-10;6*1-2;/h3*1-8H;6*1-2H3;
InChIKeyTXMGMWNAVKHBNT-UHFFFAOYSA-N
XLogP12.59
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500707.92
LogP ≤ 512.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze cobalt;ethane;tris(2-pyridin-2-ylpyridine) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(2-pyridin-2-ylpyridine);ruthenium
CID 87118114
nickel;tris(2-pyridin-2-ylpyridine)
CID 76737267
tris(2-pyridin-2-ylpyridine);ruthenium
CID 6100643
2-pyridin-2-ylpyridine;ruthenium(2+)
CID 140596360
2-pyridin-2-ylpyridine;hydroiodide
CID 172833113
2-pyridin-2-ylpyridine;rhenium;tetrachloride
CID 52939847
2-pyridin-2-ylpyridine;dihydroiodide
CID 173445353
propane;2-pyridin-2-ylpyridine
CID 158168510
disodium;hydride;2-pyridin-2-ylpyridine
CID 174959125
pyrrolo[3,2-b]azepine
CID 66934182
iridium;2-pyridin-2-ylpyridine;ruthenium
CID 174707743
carbanide;methanolate;platinum(4+);2-pyridin-2-ylpyridine;hydroxide
CID 25150763

Frequently Asked Questions

What is the IUPAC name of cobalt;ethane;tris(2-pyridin-2-ylpyridine)?
The IUPAC name of cobalt;ethane;tris(2-pyridin-2-ylpyridine) (CID 161013986) is cobalt;ethane;tris(2-pyridin-2-ylpyridine).
What is the SMILES notation for cobalt;ethane;tris(2-pyridin-2-ylpyridine)?
The canonical SMILES for cobalt;ethane;tris(2-pyridin-2-ylpyridine) is CC.CC.CC.CC.CC.CC.[Co].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of cobalt;ethane;tris(2-pyridin-2-ylpyridine)?
The InChIKey is TXMGMWNAVKHBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/3C10H8N2.6C2H6.Co/c3*1-3-7-11-9(5-1)10-6-2-4-8-12-10;6*1-2;/h3*1-8H;6*1-2H3;.
What are the key properties of cobalt;ethane;tris(2-pyridin-2-ylpyridine)?
cobalt;ethane;tris(2-pyridin-2-ylpyridine) has a molecular weight of 707.92 g/mol, XLogP of 12.59, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;ethane;tris(2-pyridin-2-ylpyridine) is sourced from PubChem (CID 161013986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).