manganese(2+);bis(4-(4-methylphenyl)-2,6-dipyridin-2-ylpyridine);diperchlorate

C44H34Cl2MnN6O8 — CID 139072923

IUPACmanganese(2+);bis(4-(4-methylphenyl)-2,6-dipyridin-2-ylpyridine);diperchlorate
SMILESCc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.Cc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.[Mn+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/2C22H17N3.2ClHO4.Mn/c2*1-16-8-10-17(11-9-16)18-14-21(19-6-2-4-12-23-19)25-22(15-18)20-7-3-5-13-24-20;2*2-1(3,4)5;/h2*2-15H,1H3;2*(H,2,3,4,5);/q;;;;+2/p-2
InChIKeyPGANNVRBCKXWHV-UHFFFAOYSA-L
MW900.63 g/mol
LogP0.85
Rot. Bonds6

About manganese(2+);bis(4-(4-methylphenyl)-2,6-dipyridin-2-ylpyridine);diperchlorate

manganese(2+);bis(4-(4-methylphenyl)-2,6-dipyridin-2-ylpyridine);diperchlorate (PubChem CID 139072923) has the molecular formula C44H34Cl2MnN6O8 and a molecular weight of 900.63 g/mol. Its IUPAC name is manganese(2+);bis(4-(4-methylphenyl)-2,6-dipyridin-2-ylpyridine);diperchlorate.

Molecular Properties

Compound Namemanganese(2+);bis(4-(4-methylphenyl)-2,6-dipyridin-2-ylpyridine);diperchlorate
PubChem CID139072923
Molecular FormulaC44H34Cl2MnN6O8
Molecular Weight900.63 g/mol
Exact Mass899.12
IUPAC Namemanganese(2+);bis(4-(4-methylphenyl)-2,6-dipyridin-2-ylpyridine);diperchlorate
SMILESCc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.Cc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.[Mn+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/2C22H17N3.2ClHO4.Mn/c2*1-16-8-10-17(11-9-16)18-14-21(19-6-2-4-12-23-19)25-22(15-18)20-7-3-5-13-24-20;2*2-1(3,4)5;/h2*2-15H,1H3;2*(H,2,3,4,5);/q;;;;+2/p-2
InChIKeyPGANNVRBCKXWHV-UHFFFAOYSA-L
XLogP0.85
TPSA261.82 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500900.63
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

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Related Compounds

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3-[6-[2-[6-(4-tert-butylpyrrol-1-id-2-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;3-[6-[2-[6-(4-deuteriopyrrol-1-id-2-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;2,6-difluoro-3-[6-[2-[6-(4-fluoropyrrol-1-id-2-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2,6-difluoro-3-[6-[2-[6-[4-(trideuteriomethyl)pyrrol-1-id-2-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2,6-difluoro-3-[6-[2-[6-[4-(trifluoromethyl)pyrrol-1-id-2-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;pentakis(platinum(2+))
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Frequently Asked Questions

What is the IUPAC name of manganese(2+);bis(4-(4-methylphenyl)-2,6-dipyridin-2-ylpyridine);diperchlorate?
The IUPAC name of manganese(2+);bis(4-(4-methylphenyl)-2,6-dipyridin-2-ylpyridine);diperchlorate (CID 139072923) is manganese(2+);bis(4-(4-methylphenyl)-2,6-dipyridin-2-ylpyridine);diperchlorate.
What is the SMILES notation for manganese(2+);bis(4-(4-methylphenyl)-2,6-dipyridin-2-ylpyridine);diperchlorate?
The canonical SMILES for manganese(2+);bis(4-(4-methylphenyl)-2,6-dipyridin-2-ylpyridine);diperchlorate is Cc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.Cc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.[Mn+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of manganese(2+);bis(4-(4-methylphenyl)-2,6-dipyridin-2-ylpyridine);diperchlorate?
The InChIKey is PGANNVRBCKXWHV-UHFFFAOYSA-L. The full InChI is InChI=1S/2C22H17N3.2ClHO4.Mn/c2*1-16-8-10-17(11-9-16)18-14-21(19-6-2-4-12-23-19)25-22(15-18)20-7-3-5-13-24-20;2*2-1(3,4)5;/h2*2-15H,1H3;2*(H,2,3,4,5);/q;;;;+2/p-2.
What are the key properties of manganese(2+);bis(4-(4-methylphenyl)-2,6-dipyridin-2-ylpyridine);diperchlorate?
manganese(2+);bis(4-(4-methylphenyl)-2,6-dipyridin-2-ylpyridine);diperchlorate has a molecular weight of 900.63 g/mol, XLogP of 0.85, 6 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for manganese(2+);bis(4-(4-methylphenyl)-2,6-dipyridin-2-ylpyridine);diperchlorate is sourced from PubChem (CID 139072923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).