chromium;tetrakis(2,6-dipyridin-2-ylpyridine)

C60H44Cr2N12 — CID 139137104

IUPACchromium;tetrakis(2,6-dipyridin-2-ylpyridine)
SMILES[Cr].[Cr].c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1
InChIInChI=1S/4C15H11N3.2Cr/c4*1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;;/h4*1-11H;;
InChIKeyMOYFYIWNBZFIEK-UHFFFAOYSA-N
MW1037.09 g/mol
LogP12.82
Rot. Bonds8

About chromium;tetrakis(2,6-dipyridin-2-ylpyridine)

chromium;tetrakis(2,6-dipyridin-2-ylpyridine) (PubChem CID 139137104) has the molecular formula C60H44Cr2N12 and a molecular weight of 1037.09 g/mol. Its IUPAC name is chromium;tetrakis(2,6-dipyridin-2-ylpyridine).

Molecular Properties

Compound Namechromium;tetrakis(2,6-dipyridin-2-ylpyridine)
PubChem CID139137104
Molecular FormulaC60H44Cr2N12
Molecular Weight1037.09 g/mol
Exact Mass1036.26
IUPAC Namechromium;tetrakis(2,6-dipyridin-2-ylpyridine)
SMILES[Cr].[Cr].c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1
InChIInChI=1S/4C15H11N3.2Cr/c4*1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;;/h4*1-11H;;
InChIKeyMOYFYIWNBZFIEK-UHFFFAOYSA-N
XLogP12.82
TPSA154.68 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms74
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001037.09
LogP ≤ 512.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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Related Compounds

Tris(2,2a(2)-bipyridyl)dichlororuthenium(II) hexahydrate
CID 165340051
Tris(2,2'-bipyridine)nickel dichloride
CID 72193962
tris(2,2'-bipyridyl)dichlororuthenium(II) hexahydrate
CID 172897992
tris(2,2'-bipyridine)iron(II)
CID 6857601
tris(2,2'-bipyridine)ruthenium(II)
CID 44176403
Ru(II)(bpy)2(Mebpy-cyclam-Ni(II))
CID 16683889
Ru(II)(bpy)2(Mebpy-cyclam-Zn(II))
CID 16683890
Ru(II)(bpy)2(Mebpy-cyclam-Cu(II))
CID 16683891
Ru(II)(bpy)2(Mebpy-cyclam-Fe(III)-Cl2)
CID 16683892
Ru(II)(bpy)2(Mebpy-cyclam-Co(III)-Cl2)
CID 16683893
4-Methyl-2-(4-methyl-2-pyridinyl)pyridine;bis(2-pyridin-2-ylpyridine);ruthenium
CID 5494444
Tris(2,2'-bipyridyl)ruthenium(II) dichloride
CID 44140593

Frequently Asked Questions

What is the IUPAC name of chromium;tetrakis(2,6-dipyridin-2-ylpyridine)?
The IUPAC name of chromium;tetrakis(2,6-dipyridin-2-ylpyridine) (CID 139137104) is chromium;tetrakis(2,6-dipyridin-2-ylpyridine).
What is the SMILES notation for chromium;tetrakis(2,6-dipyridin-2-ylpyridine)?
The canonical SMILES for chromium;tetrakis(2,6-dipyridin-2-ylpyridine) is [Cr].[Cr].c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1.
What is the InChIKey of chromium;tetrakis(2,6-dipyridin-2-ylpyridine)?
The InChIKey is MOYFYIWNBZFIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/4C15H11N3.2Cr/c4*1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;;/h4*1-11H;;.
What are the key properties of chromium;tetrakis(2,6-dipyridin-2-ylpyridine)?
chromium;tetrakis(2,6-dipyridin-2-ylpyridine) has a molecular weight of 1037.09 g/mol, XLogP of 12.82, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for chromium;tetrakis(2,6-dipyridin-2-ylpyridine) is sourced from PubChem (CID 139137104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).