manganese;hexakis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine)

C72H72Mn2N12 — CID 139140653

IUPACmanganese;hexakis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine)
SMILESCc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.[Mn].[Mn]
InChIInChI=1S/6C12H12N2.2Mn/c6*1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12;;/h6*3-8H,1-2H3;;
InChIKeyLOAHVYAWPFYAIK-UHFFFAOYSA-N
MW1215.33 g/mol
LogP16.56
Rot. Bonds6

About manganese;hexakis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine)

manganese;hexakis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine) (PubChem CID 139140653) has the molecular formula C72H72Mn2N12 and a molecular weight of 1215.33 g/mol. Its IUPAC name is manganese;hexakis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine).

Molecular Properties

Compound Namemanganese;hexakis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine)
PubChem CID139140653
Molecular FormulaC72H72Mn2N12
Molecular Weight1215.33 g/mol
Exact Mass1214.48
IUPAC Namemanganese;hexakis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine)
SMILESCc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.[Mn].[Mn]
InChIInChI=1S/6C12H12N2.2Mn/c6*1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12;;/h6*3-8H,1-2H3;;
InChIKeyLOAHVYAWPFYAIK-UHFFFAOYSA-N
XLogP16.56
TPSA154.68 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms86
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001215.33
LogP ≤ 516.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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Related Compounds

tetrakis(N-methyl-4-pyridiniumyl)porphine manganese(III) complex
CID 5486195
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CID 5489106
Zinc tetra(4-N-methylpyridyl)porphine
CID 4547397
Manganese meso-tetra-(4-methyl-4-pyridinium)porphyrin
CID 49765035
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
Ni(ii) meso-tetra (4-pyridyl) porphine
CID 4129663
(2-(4-methyl-5-phenyl-2-pyridinyl-kappaN)phenyl-kappaC)bis(2-(2-pyridinyl-kappaN)phenyl-kappaC) Iridium
CID 59546880
tris(2,2'-bipyridine)iron(II)
CID 6857601
tris(2,2'-bipyridine)ruthenium(II)
CID 44176403
4-Tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine);iridium
CID 170518286

Frequently Asked Questions

What is the IUPAC name of manganese;hexakis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine)?
The IUPAC name of manganese;hexakis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine) (CID 139140653) is manganese;hexakis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine).
What is the SMILES notation for manganese;hexakis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine)?
The canonical SMILES for manganese;hexakis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine) is Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.[Mn].[Mn].
What is the InChIKey of manganese;hexakis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine)?
The InChIKey is LOAHVYAWPFYAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/6C12H12N2.2Mn/c6*1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12;;/h6*3-8H,1-2H3;;.
What are the key properties of manganese;hexakis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine)?
manganese;hexakis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine) has a molecular weight of 1215.33 g/mol, XLogP of 16.56, 6 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for manganese;hexakis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine) is sourced from PubChem (CID 139140653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).