lithium;magnesium;bromomethane;carbanide;dioxomanganese;4,7-diphenyl-1,10-phenanthroline;2-methyl-4,7-diphenyl-1,2-dihydro-1,10-phenanthroline;2-methyl-4,7-diphenyl-1,10-phenanthroline;bromide

C77H63Br2LiMgMnN6O2 — CID 159457574

IUPAClithium;magnesium;bromomethane;carbanide;dioxomanganese;4,7-diphenyl-1,10-phenanthroline;2-methyl-4,7-diphenyl-1,2-dihydro-1,10-phenanthroline;2-methyl-4,7-diphenyl-1,10-phenanthroline;bromide
SMILESCBr.CC1C=C(c2ccccc2)c2ccc3c(-c4ccccc4)ccnc3c2N1.Cc1cc(-c2ccccc2)c2ccc3c(-c4ccccc4)ccnc3c2n1.O=[Mn]=O.[Br-].[CH3-].[CH3-].[Li+].[Mg+2].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
InChIInChI=1S/C25H20N2.C25H18N2.C24H16N2.CH3Br.2CH3.BrH.Li.Mg.Mn.2O/c2*1-17-16-23(19-10-6-3-7-11-19)22-13-12-21-20(18-8-4-2-5-9-18)14-15-26-24(21)25(22)27-17;1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18;1-2;;;;;;;;/h2-17,27H,1H3;2-16H,1H3;1-16H;1H3;2*1H3;1H;;;;;/q;;;;2*-1;;+1;+2;;;/p-1
InChIKeyXNVGRONLKVQIQZ-UHFFFAOYSA-M
MW1350.38 g/mol
LogP13.99
Rot. Bonds6

About lithium;magnesium;bromomethane;carbanide;dioxomanganese;4,7-diphenyl-1,10-phenanthroline;2-methyl-4,7-diphenyl-1,2-dihydro-1,10-phenanthroline;2-methyl-4,7-diphenyl-1,10-phenanthroline;bromide

lithium;magnesium;bromomethane;carbanide;dioxomanganese;4,7-diphenyl-1,10-phenanthroline;2-methyl-4,7-diphenyl-1,2-dihydro-1,10-phenanthroline;2-methyl-4,7-diphenyl-1,10-phenanthroline;bromide (PubChem CID 159457574) has the molecular formula C77H63Br2LiMgMnN6O2 and a molecular weight of 1350.38 g/mol. Its IUPAC name is lithium;magnesium;bromomethane;carbanide;dioxomanganese;4,7-diphenyl-1,10-phenanthroline;2-methyl-4,7-diphenyl-1,2-dihydro-1,10-phenanthroline;2-methyl-4,7-diphenyl-1,10-phenanthroline;bromide.

Molecular Properties

Compound Namelithium;magnesium;bromomethane;carbanide;dioxomanganese;4,7-diphenyl-1,10-phenanthroline;2-methyl-4,7-diphenyl-1,2-dihydro-1,10-phenanthroline;2-methyl-4,7-diphenyl-1,10-phenanthroline;bromide
PubChem CID159457574
Molecular FormulaC77H63Br2LiMgMnN6O2
Molecular Weight1350.38 g/mol
Exact Mass1347.28
IUPAC Namelithium;magnesium;bromomethane;carbanide;dioxomanganese;4,7-diphenyl-1,10-phenanthroline;2-methyl-4,7-diphenyl-1,2-dihydro-1,10-phenanthroline;2-methyl-4,7-diphenyl-1,10-phenanthroline;bromide
SMILESCBr.CC1C=C(c2ccccc2)c2ccc3c(-c4ccccc4)ccnc3c2N1.Cc1cc(-c2ccccc2)c2ccc3c(-c4ccccc4)ccnc3c2n1.O=[Mn]=O.[Br-].[CH3-].[CH3-].[Li+].[Mg+2].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
InChIInChI=1S/C25H20N2.C25H18N2.C24H16N2.CH3Br.2CH3.BrH.Li.Mg.Mn.2O/c2*1-17-16-23(19-10-6-3-7-11-19)22-13-12-21-20(18-8-4-2-5-9-18)14-15-26-24(21)25(22)27-17;1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18;1-2;;;;;;;;/h2-17,27H,1H3;2-16H,1H3;1-16H;1H3;2*1H3;1H;;;;;/q;;;;2*-1;;+1;+2;;;/p-1
InChIKeyXNVGRONLKVQIQZ-UHFFFAOYSA-M
XLogP13.99
TPSA110.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001350.38
LogP ≤ 513.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze lithium;magnesium;bromomethane;carbanide;dioxomanganese;4,7-diphenyl-1,10-phenanthroline;2-methyl-4,7-diphenyl-1,2-dihydro-1,10-phenanthroline;2-methyl-4,7-diphenyl-1,10-phenanthroline;bromide with MolForge

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Frequently Asked Questions

What is the IUPAC name of lithium;magnesium;bromomethane;carbanide;dioxomanganese;4,7-diphenyl-1,10-phenanthroline;2-methyl-4,7-diphenyl-1,2-dihydro-1,10-phenanthroline;2-methyl-4,7-diphenyl-1,10-phenanthroline;bromide?
The IUPAC name of lithium;magnesium;bromomethane;carbanide;dioxomanganese;4,7-diphenyl-1,10-phenanthroline;2-methyl-4,7-diphenyl-1,2-dihydro-1,10-phenanthroline;2-methyl-4,7-diphenyl-1,10-phenanthroline;bromide (CID 159457574) is lithium;magnesium;bromomethane;carbanide;dioxomanganese;4,7-diphenyl-1,10-phenanthroline;2-methyl-4,7-diphenyl-1,2-dihydro-1,10-phenanthroline;2-methyl-4,7-diphenyl-1,10-phenanthroline;bromide.
What is the SMILES notation for lithium;magnesium;bromomethane;carbanide;dioxomanganese;4,7-diphenyl-1,10-phenanthroline;2-methyl-4,7-diphenyl-1,2-dihydro-1,10-phenanthroline;2-methyl-4,7-diphenyl-1,10-phenanthroline;bromide?
The canonical SMILES for lithium;magnesium;bromomethane;carbanide;dioxomanganese;4,7-diphenyl-1,10-phenanthroline;2-methyl-4,7-diphenyl-1,2-dihydro-1,10-phenanthroline;2-methyl-4,7-diphenyl-1,10-phenanthroline;bromide is CBr.CC1C=C(c2ccccc2)c2ccc3c(-c4ccccc4)ccnc3c2N1.Cc1cc(-c2ccccc2)c2ccc3c(-c4ccccc4)ccnc3c2n1.O=[Mn]=O.[Br-].[CH3-].[CH3-].[Li+].[Mg+2].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.
What is the InChIKey of lithium;magnesium;bromomethane;carbanide;dioxomanganese;4,7-diphenyl-1,10-phenanthroline;2-methyl-4,7-diphenyl-1,2-dihydro-1,10-phenanthroline;2-methyl-4,7-diphenyl-1,10-phenanthroline;bromide?
The InChIKey is XNVGRONLKVQIQZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C25H20N2.C25H18N2.C24H16N2.CH3Br.2CH3.BrH.Li.Mg.Mn.2O/c2*1-17-16-23(19-10-6-3-7-11-19)22-13-12-21-20(18-8-4-2-5-9-18)14-15-26-24(21)25(22)27-17;1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18;1-2;;;;;;;;/h2-17,27H,1H3;2-16H,1H3;1-16H;1H3;2*1H3;1H;;;;;/q;;;;2*-1;;+1;+2;;;/p-1.
What are the key properties of lithium;magnesium;bromomethane;carbanide;dioxomanganese;4,7-diphenyl-1,10-phenanthroline;2-methyl-4,7-diphenyl-1,2-dihydro-1,10-phenanthroline;2-methyl-4,7-diphenyl-1,10-phenanthroline;bromide?
lithium;magnesium;bromomethane;carbanide;dioxomanganese;4,7-diphenyl-1,10-phenanthroline;2-methyl-4,7-diphenyl-1,2-dihydro-1,10-phenanthroline;2-methyl-4,7-diphenyl-1,10-phenanthroline;bromide has a molecular weight of 1350.38 g/mol, XLogP of 13.99, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;magnesium;bromomethane;carbanide;dioxomanganese;4,7-diphenyl-1,10-phenanthroline;2-methyl-4,7-diphenyl-1,2-dihydro-1,10-phenanthroline;2-methyl-4,7-diphenyl-1,10-phenanthroline;bromide is sourced from PubChem (CID 159457574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).