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

C60H44Mo2N12 — CID 139137105

IUPACtetrakis(2,6-dipyridin-2-ylpyridine);molybdenum
SMILES[Mo].[Mo].c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1
InChIInChI=1S/4C15H11N3.2Mo/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;;
InChIKeyMDNHKULKUYDECU-UHFFFAOYSA-N
MW1124.98 g/mol
LogP12.82
Rot. Bonds8

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

tetrakis(2,6-dipyridin-2-ylpyridine);molybdenum (PubChem CID 139137105) has the molecular formula C60H44Mo2N12 and a molecular weight of 1124.98 g/mol. Its IUPAC name is tetrakis(2,6-dipyridin-2-ylpyridine);molybdenum.

Molecular Properties

Compound Nametetrakis(2,6-dipyridin-2-ylpyridine);molybdenum
PubChem CID139137105
Molecular FormulaC60H44Mo2N12
Molecular Weight1124.98 g/mol
Exact Mass1128.19
IUPAC Nametetrakis(2,6-dipyridin-2-ylpyridine);molybdenum
SMILES[Mo].[Mo].c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1
InChIInChI=1S/4C15H11N3.2Mo/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;;
InChIKeyMDNHKULKUYDECU-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 ≤ 5001124.98
LogP ≤ 512.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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Related Compounds

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CID 165340051
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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 tetrakis(2,6-dipyridin-2-ylpyridine);molybdenum?
The IUPAC name of tetrakis(2,6-dipyridin-2-ylpyridine);molybdenum (CID 139137105) is tetrakis(2,6-dipyridin-2-ylpyridine);molybdenum.
What is the SMILES notation for tetrakis(2,6-dipyridin-2-ylpyridine);molybdenum?
The canonical SMILES for tetrakis(2,6-dipyridin-2-ylpyridine);molybdenum is [Mo].[Mo].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 tetrakis(2,6-dipyridin-2-ylpyridine);molybdenum?
The InChIKey is MDNHKULKUYDECU-UHFFFAOYSA-N. The full InChI is InChI=1S/4C15H11N3.2Mo/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 tetrakis(2,6-dipyridin-2-ylpyridine);molybdenum?
tetrakis(2,6-dipyridin-2-ylpyridine);molybdenum has a molecular weight of 1124.98 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 tetrakis(2,6-dipyridin-2-ylpyridine);molybdenum is sourced from PubChem (CID 139137105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).