bis([C-(2-hydroxyphenyl)-N-[(4-methoxyphenyl)methylideneamino]carbonimidoyl]oxidanium);manganese(2+);dihydroxide

C30H32MnN4O8+2 — CID 5152251

IUPACbis([C-(2-hydroxyphenyl)-N-[(4-methoxyphenyl)methylideneamino]carbonimidoyl]oxidanium);manganese(2+);dihydroxide
SMILESCOc1ccc(C=NN=C([OH2+])c2ccccc2O)cc1.COc1ccc(C=NN=C([OH2+])c2ccccc2O)cc1.[Mn+2].[OH-].[OH-]
InChIInChI=1S/2C15H14N2O3.Mn.2H2O/c2*1-20-12-8-6-11(7-9-12)10-16-17-15(19)13-4-2-3-5-14(13)18;;;/h2*2-10,18H,1H3,(H,17,19);;2*1H2/q;;+2;;
InChIKeyTXBQCQUTSVUKRO-UHFFFAOYSA-N
MW631.54 g/mol
LogP3.46
Rot. Bonds8

About bis([C-(2-hydroxyphenyl)-N-[(4-methoxyphenyl)methylideneamino]carbonimidoyl]oxidanium);manganese(2+);dihydroxide

bis([C-(2-hydroxyphenyl)-N-[(4-methoxyphenyl)methylideneamino]carbonimidoyl]oxidanium);manganese(2+);dihydroxide (PubChem CID 5152251) has the molecular formula C30H32MnN4O8+2 and a molecular weight of 631.54 g/mol. Its IUPAC name is bis([C-(2-hydroxyphenyl)-N-[(4-methoxyphenyl)methylideneamino]carbonimidoyl]oxidanium);manganese(2+);dihydroxide.

Molecular Properties

Compound Namebis([C-(2-hydroxyphenyl)-N-[(4-methoxyphenyl)methylideneamino]carbonimidoyl]oxidanium);manganese(2+);dihydroxide
PubChem CID5152251
Molecular FormulaC30H32MnN4O8+2
Molecular Weight631.54 g/mol
Exact Mass631.16
IUPAC Namebis([C-(2-hydroxyphenyl)-N-[(4-methoxyphenyl)methylideneamino]carbonimidoyl]oxidanium);manganese(2+);dihydroxide
SMILESCOc1ccc(C=NN=C([OH2+])c2ccccc2O)cc1.COc1ccc(C=NN=C([OH2+])c2ccccc2O)cc1.[Mn+2].[OH-].[OH-]
InChIInChI=1S/2C15H14N2O3.Mn.2H2O/c2*1-20-12-8-6-11(7-9-12)10-16-17-15(19)13-4-2-3-5-14(13)18;;;/h2*2-10,18H,1H3,(H,17,19);;2*1H2/q;;+2;;
InChIKeyTXBQCQUTSVUKRO-UHFFFAOYSA-N
XLogP3.46
TPSA214.16 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500631.54
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

bis([(Z)-C-(2-hydroxyphenyl)-N-[(4-methoxyphenyl)methylideneamino]carbonimidoyl]oxidanium);nickel(2+)
CID 135752302
copper;bis([(Z)-C-(2-hydroxyphenyl)-N-[(4-methoxyphenyl)methylideneamino]carbonimidoyl]oxidanium);dihydroxide
CID 135607660
bis((NZ,1Z)-2-hydroxy-N-[(4-methoxyphenyl)methylidene]benzenecarbohydrazonate);manganese(2+);dihydrate
CID 135666331
2-[[(4-methoxyphenyl)methylidenehydrazinylidene]methyl]phenol
CID 3949149
2-hydroxy-N-[2-[(4-methoxyphenyl)methylideneamino]ethyl]benzamide
CID 101344836
3-hydroxy-N-[(E)-(4-methoxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 6869154
1-[(E)-(4-methoxyphenyl)methylideneamino]-2-[(Z)-(4-methoxyphenyl)methylideneamino]guanidine
CID 119080623
1,2-bis[(E)-(4-methoxyphenyl)methylideneamino]guanidine
CID 54753081
2-methoxy-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide
CID 6861691
2-hydroxy-N-[3-(4-methoxyphenyl)prop-2-enoyl]benzamide
CID 740401
1-(dihydroxyamino)-2-[(4-methoxyphenyl)methylideneamino]guanidine
CID 3802912
2-iodo-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide
CID 5379610

Frequently Asked Questions

What is the IUPAC name of bis([C-(2-hydroxyphenyl)-N-[(4-methoxyphenyl)methylideneamino]carbonimidoyl]oxidanium);manganese(2+);dihydroxide?
The IUPAC name of bis([C-(2-hydroxyphenyl)-N-[(4-methoxyphenyl)methylideneamino]carbonimidoyl]oxidanium);manganese(2+);dihydroxide (CID 5152251) is bis([C-(2-hydroxyphenyl)-N-[(4-methoxyphenyl)methylideneamino]carbonimidoyl]oxidanium);manganese(2+);dihydroxide.
What is the SMILES notation for bis([C-(2-hydroxyphenyl)-N-[(4-methoxyphenyl)methylideneamino]carbonimidoyl]oxidanium);manganese(2+);dihydroxide?
The canonical SMILES for bis([C-(2-hydroxyphenyl)-N-[(4-methoxyphenyl)methylideneamino]carbonimidoyl]oxidanium);manganese(2+);dihydroxide is COc1ccc(C=NN=C([OH2+])c2ccccc2O)cc1.COc1ccc(C=NN=C([OH2+])c2ccccc2O)cc1.[Mn+2].[OH-].[OH-].
What is the InChIKey of bis([C-(2-hydroxyphenyl)-N-[(4-methoxyphenyl)methylideneamino]carbonimidoyl]oxidanium);manganese(2+);dihydroxide?
The InChIKey is TXBQCQUTSVUKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H14N2O3.Mn.2H2O/c2*1-20-12-8-6-11(7-9-12)10-16-17-15(19)13-4-2-3-5-14(13)18;;;/h2*2-10,18H,1H3,(H,17,19);;2*1H2/q;;+2;;.
What are the key properties of bis([C-(2-hydroxyphenyl)-N-[(4-methoxyphenyl)methylideneamino]carbonimidoyl]oxidanium);manganese(2+);dihydroxide?
bis([C-(2-hydroxyphenyl)-N-[(4-methoxyphenyl)methylideneamino]carbonimidoyl]oxidanium);manganese(2+);dihydroxide has a molecular weight of 631.54 g/mol, XLogP of 3.46, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis([C-(2-hydroxyphenyl)-N-[(4-methoxyphenyl)methylideneamino]carbonimidoyl]oxidanium);manganese(2+);dihydroxide is sourced from PubChem (CID 5152251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).