bis([(2,4-dimethylanilino)-(3-hydroxynaphthalen-2-yl)methylidene]oxidanium);manganese

C38H36MnN2O4+2 — CID 3879484

IUPACbis([(2,4-dimethylanilino)-(3-hydroxynaphthalen-2-yl)methylidene]oxidanium);manganese
SMILES[H]/[O+]=C(\Nc1ccc(C)cc1C)c1cc2ccccc2cc1O.[H]/[O+]=C(\Nc1ccc(C)cc1C)c1cc2ccccc2cc1O.[Mn]
InChIInChI=1S/2C19H17NO2.Mn/c2*1-12-7-8-17(13(2)9-12)20-19(22)16-10-14-5-3-4-6-15(14)11-18(16)21;/h2*3-11,21H,1-2H3,(H,20,22);/p+2
InChIKeyCYPDDSNJBQWEKK-UHFFFAOYSA-P
MW639.65 g/mol
LogP8.25
Rot. Bonds4

About bis([(2,4-dimethylanilino)-(3-hydroxynaphthalen-2-yl)methylidene]oxidanium);manganese

bis([(2,4-dimethylanilino)-(3-hydroxynaphthalen-2-yl)methylidene]oxidanium);manganese (PubChem CID 3879484) has the molecular formula C38H36MnN2O4+2 and a molecular weight of 639.65 g/mol. Its IUPAC name is bis([(2,4-dimethylanilino)-(3-hydroxynaphthalen-2-yl)methylidene]oxidanium);manganese.

Molecular Properties

Compound Namebis([(2,4-dimethylanilino)-(3-hydroxynaphthalen-2-yl)methylidene]oxidanium);manganese
PubChem CID3879484
Molecular FormulaC38H36MnN2O4+2
Molecular Weight639.65 g/mol
Exact Mass639.20
IUPAC Namebis([(2,4-dimethylanilino)-(3-hydroxynaphthalen-2-yl)methylidene]oxidanium);manganese
SMILES[H]/[O+]=C(\Nc1ccc(C)cc1C)c1cc2ccccc2cc1O.[H]/[O+]=C(\Nc1ccc(C)cc1C)c1cc2ccccc2cc1O.[Mn]
InChIInChI=1S/2C19H17NO2.Mn/c2*1-12-7-8-17(13(2)9-12)20-19(22)16-10-14-5-3-4-6-15(14)11-18(16)21;/h2*3-11,21H,1-2H3,(H,20,22);/p+2
InChIKeyCYPDDSNJBQWEKK-UHFFFAOYSA-P
XLogP8.25
TPSA107.32 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.65
LogP ≤ 58.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

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Related Compounds

[1-(2,4-dimethylanilino)-1-oxopropan-2-yl] 3-hydroxynaphthalene-2-carboxylate
CID 46619683
bis((2,4-dimethylphenyl)-[hydroxy-(3-hydroxynaphthalen-2-yl)methylidene]azanium);manganese
CID 50911167
3-[(2,4-dimethylanilino)-hydroxymethyl]naphthalen-2-ol
CID 140700259
3-hydroxy-N-(4-methyl-2-nitrophenyl)naphthalene-2-carboxamide
CID 598391
2-[1-(2,4-dimethylanilino)ethenyl]-4-methylphenol
CID 138652655
N-(2,4-dimethylphenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 112522893
N,N'-bis(2,4-dimethylphenyl)oxamide
CID 3416969
[2-(4-chloro-2-methylanilino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
CID 7891384
N-(2,4-dimethylphenyl)-2-fluorobenzamide
CID 579639
N-(2,4-dimethylphenyl)-3-hydroxy-4-phenyldiazenylnaphthalene-2-carboxamide
CID 3798515
ethane;3-hydroxy-7-methyl-N-phenylnaphthalene-2-carboxamide;methane
CID 160768568
2-amino-N-(2,4-dimethylphenyl)benzamide;hydrochloride
CID 170900117

Frequently Asked Questions

What is the IUPAC name of bis([(2,4-dimethylanilino)-(3-hydroxynaphthalen-2-yl)methylidene]oxidanium);manganese?
The IUPAC name of bis([(2,4-dimethylanilino)-(3-hydroxynaphthalen-2-yl)methylidene]oxidanium);manganese (CID 3879484) is bis([(2,4-dimethylanilino)-(3-hydroxynaphthalen-2-yl)methylidene]oxidanium);manganese.
What is the SMILES notation for bis([(2,4-dimethylanilino)-(3-hydroxynaphthalen-2-yl)methylidene]oxidanium);manganese?
The canonical SMILES for bis([(2,4-dimethylanilino)-(3-hydroxynaphthalen-2-yl)methylidene]oxidanium);manganese is [H]/[O+]=C(\Nc1ccc(C)cc1C)c1cc2ccccc2cc1O.[H]/[O+]=C(\Nc1ccc(C)cc1C)c1cc2ccccc2cc1O.[Mn].
What is the InChIKey of bis([(2,4-dimethylanilino)-(3-hydroxynaphthalen-2-yl)methylidene]oxidanium);manganese?
The InChIKey is CYPDDSNJBQWEKK-UHFFFAOYSA-P. The full InChI is InChI=1S/2C19H17NO2.Mn/c2*1-12-7-8-17(13(2)9-12)20-19(22)16-10-14-5-3-4-6-15(14)11-18(16)21;/h2*3-11,21H,1-2H3,(H,20,22);/p+2.
What are the key properties of bis([(2,4-dimethylanilino)-(3-hydroxynaphthalen-2-yl)methylidene]oxidanium);manganese?
bis([(2,4-dimethylanilino)-(3-hydroxynaphthalen-2-yl)methylidene]oxidanium);manganese has a molecular weight of 639.65 g/mol, XLogP of 8.25, 4 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis([(2,4-dimethylanilino)-(3-hydroxynaphthalen-2-yl)methylidene]oxidanium);manganese is sourced from PubChem (CID 3879484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).