manganese(2+);bis(10-(pyridin-2-yldiazenyl)phenanthren-9-olate)

C38H24MnN6O2 — CID 139140410

IUPACmanganese(2+);bis(10-(pyridin-2-yldiazenyl)phenanthren-9-olate)
SMILES[Mn+2].[O-]c1c(/N=N/c2ccccn2)c2ccccc2c2ccccc12.[O-]c1c(/N=N/c2ccccn2)c2ccccc2c2ccccc12
InChIInChI=1S/2C19H13N3O.Mn/c2*23-19-16-10-4-2-8-14(16)13-7-1-3-9-15(13)18(19)22-21-17-11-5-6-12-20-17;/h2*1-12,23H;/q;;+2/p-2/b2*22-21+;
InChIKeyIHMUMGVXTHJVAL-JTVZJQPRSA-L
MW651.59 g/mol
LogP9.75
Rot. Bonds4

About manganese(2+);bis(10-(pyridin-2-yldiazenyl)phenanthren-9-olate)

manganese(2+);bis(10-(pyridin-2-yldiazenyl)phenanthren-9-olate) (PubChem CID 139140410) has the molecular formula C38H24MnN6O2 and a molecular weight of 651.59 g/mol. Its IUPAC name is manganese(2+);bis(10-(pyridin-2-yldiazenyl)phenanthren-9-olate).

Molecular Properties

Compound Namemanganese(2+);bis(10-(pyridin-2-yldiazenyl)phenanthren-9-olate)
PubChem CID139140410
Molecular FormulaC38H24MnN6O2
Molecular Weight651.59 g/mol
Exact Mass651.13
IUPAC Namemanganese(2+);bis(10-(pyridin-2-yldiazenyl)phenanthren-9-olate)
SMILES[Mn+2].[O-]c1c(/N=N/c2ccccn2)c2ccccc2c2ccccc12.[O-]c1c(/N=N/c2ccccn2)c2ccccc2c2ccccc12
InChIInChI=1S/2C19H13N3O.Mn/c2*23-19-16-10-4-2-8-14(16)13-7-1-3-9-15(13)18(19)22-21-17-11-5-6-12-20-17;/h2*1-12,23H;/q;;+2/p-2/b2*22-21+;
InChIKeyIHMUMGVXTHJVAL-JTVZJQPRSA-L
XLogP9.75
TPSA121.34 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.59
LogP ≤ 59.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

Copper(II)bis[1-(2-pyridylazo)naphthalene-2-olate]
CID 101973286
Bis{mu-1-[(2-oxidophenyl)iminomethyl]-2-naphtholato}bis[pyridinecopper(II)]
CID 139078158
2,4-Ditert-butyl-6-phenylazanidylphenolate;bis(phenyl(pyridin-2-yl)diazene);ruthenium(3+);toluene;perchlorate
CID 139127174
2,4-Ditert-butyl-6-phenylazanidylphenolate;osmium(2+);bis(phenyl(pyridin-2-yl)diazene)
CID 139135938
2,4-Ditert-butyl-6-(3,5-ditert-butylphenyl)azanidylphenolate;osmium(2+);bis(phenyl(pyridin-2-yl)diazene)
CID 139135941
Bis(2-azanidyl-4,6-ditert-butylphenolate);carbon monoxide;2,4-ditert-butyl-6-(pyridin-2-yldiazenyl)phenolate;rhenium
CID 139136017
Nickel(2+);oxolane;bis(10-(pyridin-2-yldiazenyl)phenanthren-9-olate)
CID 139140411
Bis(2,4-ditert-butyl-6-(pyridin-2-yldiazenyl)phenolate);molybdenum;bis(oxygen(2-))
CID 139142974
Chromium(2+);bis(2,4-ditert-butyl-6-(pyridin-2-yldiazenyl)phenolate)
CID 139142975
Chromium(3+);bis(2,4-ditert-butyl-6-(pyridin-2-yldiazenyl)phenolate);triiodide
CID 139142976
Cobalt(2+);bis(10-(pyridin-2-yldiazenyl)phenanthren-9-olate)
CID 168339004
ZINC bis(1-[(4-methyl-2-pyridinyl)diazenyl]naphthalen-2-olate)
CID 21263639

Frequently Asked Questions

What is the IUPAC name of manganese(2+);bis(10-(pyridin-2-yldiazenyl)phenanthren-9-olate)?
The IUPAC name of manganese(2+);bis(10-(pyridin-2-yldiazenyl)phenanthren-9-olate) (CID 139140410) is manganese(2+);bis(10-(pyridin-2-yldiazenyl)phenanthren-9-olate).
What is the SMILES notation for manganese(2+);bis(10-(pyridin-2-yldiazenyl)phenanthren-9-olate)?
The canonical SMILES for manganese(2+);bis(10-(pyridin-2-yldiazenyl)phenanthren-9-olate) is [Mn+2].[O-]c1c(/N=N/c2ccccn2)c2ccccc2c2ccccc12.[O-]c1c(/N=N/c2ccccn2)c2ccccc2c2ccccc12.
What is the InChIKey of manganese(2+);bis(10-(pyridin-2-yldiazenyl)phenanthren-9-olate)?
The InChIKey is IHMUMGVXTHJVAL-JTVZJQPRSA-L. The full InChI is InChI=1S/2C19H13N3O.Mn/c2*23-19-16-10-4-2-8-14(16)13-7-1-3-9-15(13)18(19)22-21-17-11-5-6-12-20-17;/h2*1-12,23H;/q;;+2/p-2/b2*22-21+;.
What are the key properties of manganese(2+);bis(10-(pyridin-2-yldiazenyl)phenanthren-9-olate)?
manganese(2+);bis(10-(pyridin-2-yldiazenyl)phenanthren-9-olate) has a molecular weight of 651.59 g/mol, XLogP of 9.75, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for manganese(2+);bis(10-(pyridin-2-yldiazenyl)phenanthren-9-olate) is sourced from PubChem (CID 139140410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).