bis((NZ,1Z)-2-hydroxy-N-[(4-methoxyphenyl)methylidene]benzenecarbohydrazonate);manganese(2+);dihydrate

C30H30MnN4O8 — CID 135666331

IUPACbis((NZ,1Z)-2-hydroxy-N-[(4-methoxyphenyl)methylidene]benzenecarbohydrazonate);manganese(2+);dihydrate
SMILESCOc1ccc(/C=N/N=C(\[O-])c2ccccc2O)cc1.COc1ccc(/C=N/N=C(\[O-])c2ccccc2O)cc1.O.O.[Mn+2]
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;;/p-2/b2*16-10+;;;
InChIKeyTXBQCQUTSVUKRO-MWVJFJQUSA-L
MW629.53 g/mol
LogP1.43
Rot. Bonds8

About bis((NZ,1Z)-2-hydroxy-N-[(4-methoxyphenyl)methylidene]benzenecarbohydrazonate);manganese(2+);dihydrate

bis((NZ,1Z)-2-hydroxy-N-[(4-methoxyphenyl)methylidene]benzenecarbohydrazonate);manganese(2+);dihydrate (PubChem CID 135666331) has the molecular formula C30H30MnN4O8 and a molecular weight of 629.53 g/mol. Its IUPAC name is bis((NZ,1Z)-2-hydroxy-N-[(4-methoxyphenyl)methylidene]benzenecarbohydrazonate);manganese(2+);dihydrate.

Molecular Properties

Compound Namebis((NZ,1Z)-2-hydroxy-N-[(4-methoxyphenyl)methylidene]benzenecarbohydrazonate);manganese(2+);dihydrate
PubChem CID135666331
Molecular FormulaC30H30MnN4O8
Molecular Weight629.53 g/mol
Exact Mass629.14
IUPAC Namebis((NZ,1Z)-2-hydroxy-N-[(4-methoxyphenyl)methylidene]benzenecarbohydrazonate);manganese(2+);dihydrate
SMILESCOc1ccc(/C=N/N=C(\[O-])c2ccccc2O)cc1.COc1ccc(/C=N/N=C(\[O-])c2ccccc2O)cc1.O.O.[Mn+2]
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;;/p-2/b2*16-10+;;;
InChIKeyTXBQCQUTSVUKRO-MWVJFJQUSA-L
XLogP1.43
TPSA217.48 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500629.53
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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([C-(2-hydroxyphenyl)-N-[(4-methoxyphenyl)methylideneamino]carbonimidoyl]oxidanium);manganese(2+);dihydroxide
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CID 135607660
2-[[(4-methoxyphenyl)methylidenehydrazinylidene]methyl]phenol
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2-hydroxy-N-[2-[(4-methoxyphenyl)methylideneamino]ethyl]benzamide
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3-hydroxy-N-[(E)-(4-methoxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 6869154
(Z)-1-(4-methoxyphenyl)-N-oxidomethanimine
CID 11389669
1,2-bis[(E)-(4-methoxyphenyl)methylideneamino]guanidine
CID 54753081
1-[(E)-(4-methoxyphenyl)methylideneamino]-2-[(Z)-(4-methoxyphenyl)methylideneamino]guanidine
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2-hydroxy-N-[3-(4-methoxyphenyl)prop-2-enoyl]benzamide
CID 740401
2-methoxy-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide
CID 6861691
1-(dihydroxyamino)-2-[(4-methoxyphenyl)methylideneamino]guanidine
CID 3802912

Frequently Asked Questions

What is the IUPAC name of bis((NZ,1Z)-2-hydroxy-N-[(4-methoxyphenyl)methylidene]benzenecarbohydrazonate);manganese(2+);dihydrate?
The IUPAC name of bis((NZ,1Z)-2-hydroxy-N-[(4-methoxyphenyl)methylidene]benzenecarbohydrazonate);manganese(2+);dihydrate (CID 135666331) is bis((NZ,1Z)-2-hydroxy-N-[(4-methoxyphenyl)methylidene]benzenecarbohydrazonate);manganese(2+);dihydrate.
What is the SMILES notation for bis((NZ,1Z)-2-hydroxy-N-[(4-methoxyphenyl)methylidene]benzenecarbohydrazonate);manganese(2+);dihydrate?
The canonical SMILES for bis((NZ,1Z)-2-hydroxy-N-[(4-methoxyphenyl)methylidene]benzenecarbohydrazonate);manganese(2+);dihydrate is COc1ccc(/C=N/N=C(\[O-])c2ccccc2O)cc1.COc1ccc(/C=N/N=C(\[O-])c2ccccc2O)cc1.O.O.[Mn+2].
What is the InChIKey of bis((NZ,1Z)-2-hydroxy-N-[(4-methoxyphenyl)methylidene]benzenecarbohydrazonate);manganese(2+);dihydrate?
The InChIKey is TXBQCQUTSVUKRO-MWVJFJQUSA-L. 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;;/p-2/b2*16-10+;;;.
What are the key properties of bis((NZ,1Z)-2-hydroxy-N-[(4-methoxyphenyl)methylidene]benzenecarbohydrazonate);manganese(2+);dihydrate?
bis((NZ,1Z)-2-hydroxy-N-[(4-methoxyphenyl)methylidene]benzenecarbohydrazonate);manganese(2+);dihydrate has a molecular weight of 629.53 g/mol, XLogP of 1.43, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis((NZ,1Z)-2-hydroxy-N-[(4-methoxyphenyl)methylidene]benzenecarbohydrazonate);manganese(2+);dihydrate is sourced from PubChem (CID 135666331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).