magnesium;3-[4-[4-(bromomethyl)phenyl]phenyl]pyridine;1-[4-(4-bromophenyl)phenyl]ethanone;3-[4-(4-but-3-enylphenyl)phenyl]pyridine;hydride;oxolane;prop-1-ene;pyridin-3-ylboronic acid;4-(4-pyridin-3-ylphenyl)benzoic acid;1-[4-(4-pyridin-3-ylphenyl)phenyl]ethanone;[4-(4-pyridin-3-ylphenyl)phenyl]methanol;bromide

C120H108BBr3MgN6O8 — CID 159733866

IUPACmagnesium;3-[4-[4-(bromomethyl)phenyl]phenyl]pyridine;1-[4-(4-bromophenyl)phenyl]ethanone;3-[4-(4-but-3-enylphenyl)phenyl]pyridine;hydride;oxolane;prop-1-ene;pyridin-3-ylboronic acid;4-(4-pyridin-3-ylphenyl)benzoic acid;1-[4-(4-pyridin-3-ylphenyl)phenyl]ethanone;[4-(4-pyridin-3-ylphenyl)phenyl]methanol;bromide
SMILESBrCc1ccc(-c2ccc(-c3cccnc3)cc2)cc1.C1CCOC1.C=CC.C=CCCc1ccc(-c2ccc(-c3cccnc3)cc2)cc1.CC(=O)c1ccc(-c2ccc(-c3cccnc3)cc2)cc1.CC(=O)c1ccc(-c2ccc(Br)cc2)cc1.O=C(O)c1ccc(-c2ccc(-c3cccnc3)cc2)cc1.OB(O)c1cccnc1.OCc1ccc(-c2ccc(-c3cccnc3)cc2)cc1.[Br-].[H-].[Mg+2]
InChIInChI=1S/C21H19N.C19H15NO.C18H14BrN.C18H13NO2.C18H15NO.C14H11BrO.C5H6BNO2.C4H8O.C3H6.BrH.Mg.H/c1-2-3-5-17-7-9-18(10-8-17)19-11-13-20(14-12-19)21-6-4-15-22-16-21;1-14(21)15-4-6-16(7-5-15)17-8-10-18(11-9-17)19-3-2-12-20-13-19;19-12-14-3-5-15(6-4-14)16-7-9-17(10-8-16)18-2-1-11-20-13-18;20-18(21)16-9-7-14(8-10-16)13-3-5-15(6-4-13)17-2-1-11-19-12-17;20-13-14-3-5-15(6-4-14)16-7-9-17(10-8-16)18-2-1-11-19-12-18;1-10(16)11-2-4-12(5-3-11)13-6-8-14(15)9-7-13;8-6(9)5-2-1-3-7-4-5;1-2-4-5-3-1;1-3-2;;;/h2,4,6-16H,1,3,5H2;2-13H,1H3;1-11,13H,12H2;1-12H,(H,20,21);1-12,20H,13H2;2-9H,1H3;1-4,8-9H;1-4H2;3H,1H2,2H3;1H;;/q;;;;;;;;;;+2;-1/p-1
InChIKeyRKQPMKIYRXTFHU-UHFFFAOYSA-M
MW2037.05 g/mol
LogP25.29
Rot. Bonds20

About magnesium;3-[4-[4-(bromomethyl)phenyl]phenyl]pyridine;1-[4-(4-bromophenyl)phenyl]ethanone;3-[4-(4-but-3-enylphenyl)phenyl]pyridine;hydride;oxolane;prop-1-ene;pyridin-3-ylboronic acid;4-(4-pyridin-3-ylphenyl)benzoic acid;1-[4-(4-pyridin-3-ylphenyl)phenyl]ethanone;[4-(4-pyridin-3-ylphenyl)phenyl]methanol;bromide

magnesium;3-[4-[4-(bromomethyl)phenyl]phenyl]pyridine;1-[4-(4-bromophenyl)phenyl]ethanone;3-[4-(4-but-3-enylphenyl)phenyl]pyridine;hydride;oxolane;prop-1-ene;pyridin-3-ylboronic acid;4-(4-pyridin-3-ylphenyl)benzoic acid;1-[4-(4-pyridin-3-ylphenyl)phenyl]ethanone;[4-(4-pyridin-3-ylphenyl)phenyl]methanol;bromide (PubChem CID 159733866) has the molecular formula C120H108BBr3MgN6O8 and a molecular weight of 2037.05 g/mol. Its IUPAC name is magnesium;3-[4-[4-(bromomethyl)phenyl]phenyl]pyridine;1-[4-(4-bromophenyl)phenyl]ethanone;3-[4-(4-but-3-enylphenyl)phenyl]pyridine;hydride;oxolane;prop-1-ene;pyridin-3-ylboronic acid;4-(4-pyridin-3-ylphenyl)benzoic acid;1-[4-(4-pyridin-3-ylphenyl)phenyl]ethanone;[4-(4-pyridin-3-ylphenyl)phenyl]methanol;bromide.

Molecular Properties

Compound Namemagnesium;3-[4-[4-(bromomethyl)phenyl]phenyl]pyridine;1-[4-(4-bromophenyl)phenyl]ethanone;3-[4-(4-but-3-enylphenyl)phenyl]pyridine;hydride;oxolane;prop-1-ene;pyridin-3-ylboronic acid;4-(4-pyridin-3-ylphenyl)benzoic acid;1-[4-(4-pyridin-3-ylphenyl)phenyl]ethanone;[4-(4-pyridin-3-ylphenyl)phenyl]methanol;bromide
PubChem CID159733866
Molecular FormulaC120H108BBr3MgN6O8
Molecular Weight2037.05 g/mol
Exact Mass2032.57
IUPAC Namemagnesium;3-[4-[4-(bromomethyl)phenyl]phenyl]pyridine;1-[4-(4-bromophenyl)phenyl]ethanone;3-[4-(4-but-3-enylphenyl)phenyl]pyridine;hydride;oxolane;prop-1-ene;pyridin-3-ylboronic acid;4-(4-pyridin-3-ylphenyl)benzoic acid;1-[4-(4-pyridin-3-ylphenyl)phenyl]ethanone;[4-(4-pyridin-3-ylphenyl)phenyl]methanol;bromide
SMILESBrCc1ccc(-c2ccc(-c3cccnc3)cc2)cc1.C1CCOC1.C=CC.C=CCCc1ccc(-c2ccc(-c3cccnc3)cc2)cc1.CC(=O)c1ccc(-c2ccc(-c3cccnc3)cc2)cc1.CC(=O)c1ccc(-c2ccc(Br)cc2)cc1.O=C(O)c1ccc(-c2ccc(-c3cccnc3)cc2)cc1.OB(O)c1cccnc1.OCc1ccc(-c2ccc(-c3cccnc3)cc2)cc1.[Br-].[H-].[Mg+2]
InChIInChI=1S/C21H19N.C19H15NO.C18H14BrN.C18H13NO2.C18H15NO.C14H11BrO.C5H6BNO2.C4H8O.C3H6.BrH.Mg.H/c1-2-3-5-17-7-9-18(10-8-17)19-11-13-20(14-12-19)21-6-4-15-22-16-21;1-14(21)15-4-6-16(7-5-15)17-8-10-18(11-9-17)19-3-2-12-20-13-19;19-12-14-3-5-15(6-4-14)16-7-9-17(10-8-16)18-2-1-11-20-13-18;20-18(21)16-9-7-14(8-10-16)13-3-5-15(6-4-13)17-2-1-11-19-12-17;20-13-14-3-5-15(6-4-14)16-7-9-17(10-8-16)18-2-1-11-19-12-18;1-10(16)11-2-4-12(5-3-11)13-6-8-14(15)9-7-13;8-6(9)5-2-1-3-7-4-5;1-2-4-5-3-1;1-3-2;;;/h2,4,6-16H,1,3,5H2;2-13H,1H3;1-11,13H,12H2;1-12H,(H,20,21);1-12,20H,13H2;2-9H,1H3;1-4,8-9H;1-4H2;3H,1H2,2H3;1H;;/q;;;;;;;;;;+2;-1/p-1
InChIKeyRKQPMKIYRXTFHU-UHFFFAOYSA-M
XLogP25.29
TPSA218.70 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds20
Heavy Atoms139
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002037.05
LogP ≤ 525.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze magnesium;3-[4-[4-(bromomethyl)phenyl]phenyl]pyridine;1-[4-(4-bromophenyl)phenyl]ethanone;3-[4-(4-but-3-enylphenyl)phenyl]pyridine;hydride;oxolane;prop-1-ene;pyridin-3-ylboronic acid;4-(4-pyridin-3-ylphenyl)benzoic acid;1-[4-(4-pyridin-3-ylphenyl)phenyl]ethanone;[4-(4-pyridin-3-ylphenyl)phenyl]methanol;bromide with MolForge

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Frequently Asked Questions

What is the IUPAC name of magnesium;3-[4-[4-(bromomethyl)phenyl]phenyl]pyridine;1-[4-(4-bromophenyl)phenyl]ethanone;3-[4-(4-but-3-enylphenyl)phenyl]pyridine;hydride;oxolane;prop-1-ene;pyridin-3-ylboronic acid;4-(4-pyridin-3-ylphenyl)benzoic acid;1-[4-(4-pyridin-3-ylphenyl)phenyl]ethanone;[4-(4-pyridin-3-ylphenyl)phenyl]methanol;bromide?
The IUPAC name of magnesium;3-[4-[4-(bromomethyl)phenyl]phenyl]pyridine;1-[4-(4-bromophenyl)phenyl]ethanone;3-[4-(4-but-3-enylphenyl)phenyl]pyridine;hydride;oxolane;prop-1-ene;pyridin-3-ylboronic acid;4-(4-pyridin-3-ylphenyl)benzoic acid;1-[4-(4-pyridin-3-ylphenyl)phenyl]ethanone;[4-(4-pyridin-3-ylphenyl)phenyl]methanol;bromide (CID 159733866) is magnesium;3-[4-[4-(bromomethyl)phenyl]phenyl]pyridine;1-[4-(4-bromophenyl)phenyl]ethanone;3-[4-(4-but-3-enylphenyl)phenyl]pyridine;hydride;oxolane;prop-1-ene;pyridin-3-ylboronic acid;4-(4-pyridin-3-ylphenyl)benzoic acid;1-[4-(4-pyridin-3-ylphenyl)phenyl]ethanone;[4-(4-pyridin-3-ylphenyl)phenyl]methanol;bromide.
What is the SMILES notation for magnesium;3-[4-[4-(bromomethyl)phenyl]phenyl]pyridine;1-[4-(4-bromophenyl)phenyl]ethanone;3-[4-(4-but-3-enylphenyl)phenyl]pyridine;hydride;oxolane;prop-1-ene;pyridin-3-ylboronic acid;4-(4-pyridin-3-ylphenyl)benzoic acid;1-[4-(4-pyridin-3-ylphenyl)phenyl]ethanone;[4-(4-pyridin-3-ylphenyl)phenyl]methanol;bromide?
The canonical SMILES for magnesium;3-[4-[4-(bromomethyl)phenyl]phenyl]pyridine;1-[4-(4-bromophenyl)phenyl]ethanone;3-[4-(4-but-3-enylphenyl)phenyl]pyridine;hydride;oxolane;prop-1-ene;pyridin-3-ylboronic acid;4-(4-pyridin-3-ylphenyl)benzoic acid;1-[4-(4-pyridin-3-ylphenyl)phenyl]ethanone;[4-(4-pyridin-3-ylphenyl)phenyl]methanol;bromide is BrCc1ccc(-c2ccc(-c3cccnc3)cc2)cc1.C1CCOC1.C=CC.C=CCCc1ccc(-c2ccc(-c3cccnc3)cc2)cc1.CC(=O)c1ccc(-c2ccc(-c3cccnc3)cc2)cc1.CC(=O)c1ccc(-c2ccc(Br)cc2)cc1.O=C(O)c1ccc(-c2ccc(-c3cccnc3)cc2)cc1.OB(O)c1cccnc1.OCc1ccc(-c2ccc(-c3cccnc3)cc2)cc1.[Br-].[H-].[Mg+2].
What is the InChIKey of magnesium;3-[4-[4-(bromomethyl)phenyl]phenyl]pyridine;1-[4-(4-bromophenyl)phenyl]ethanone;3-[4-(4-but-3-enylphenyl)phenyl]pyridine;hydride;oxolane;prop-1-ene;pyridin-3-ylboronic acid;4-(4-pyridin-3-ylphenyl)benzoic acid;1-[4-(4-pyridin-3-ylphenyl)phenyl]ethanone;[4-(4-pyridin-3-ylphenyl)phenyl]methanol;bromide?
The InChIKey is RKQPMKIYRXTFHU-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H19N.C19H15NO.C18H14BrN.C18H13NO2.C18H15NO.C14H11BrO.C5H6BNO2.C4H8O.C3H6.BrH.Mg.H/c1-2-3-5-17-7-9-18(10-8-17)19-11-13-20(14-12-19)21-6-4-15-22-16-21;1-14(21)15-4-6-16(7-5-15)17-8-10-18(11-9-17)19-3-2-12-20-13-19;19-12-14-3-5-15(6-4-14)16-7-9-17(10-8-16)18-2-1-11-20-13-18;20-18(21)16-9-7-14(8-10-16)13-3-5-15(6-4-13)17-2-1-11-19-12-17;20-13-14-3-5-15(6-4-14)16-7-9-17(10-8-16)18-2-1-11-19-12-18;1-10(16)11-2-4-12(5-3-11)13-6-8-14(15)9-7-13;8-6(9)5-2-1-3-7-4-5;1-2-4-5-3-1;1-3-2;;;/h2,4,6-16H,1,3,5H2;2-13H,1H3;1-11,13H,12H2;1-12H,(H,20,21);1-12,20H,13H2;2-9H,1H3;1-4,8-9H;1-4H2;3H,1H2,2H3;1H;;/q;;;;;;;;;;+2;-1/p-1.
What are the key properties of magnesium;3-[4-[4-(bromomethyl)phenyl]phenyl]pyridine;1-[4-(4-bromophenyl)phenyl]ethanone;3-[4-(4-but-3-enylphenyl)phenyl]pyridine;hydride;oxolane;prop-1-ene;pyridin-3-ylboronic acid;4-(4-pyridin-3-ylphenyl)benzoic acid;1-[4-(4-pyridin-3-ylphenyl)phenyl]ethanone;[4-(4-pyridin-3-ylphenyl)phenyl]methanol;bromide?
magnesium;3-[4-[4-(bromomethyl)phenyl]phenyl]pyridine;1-[4-(4-bromophenyl)phenyl]ethanone;3-[4-(4-but-3-enylphenyl)phenyl]pyridine;hydride;oxolane;prop-1-ene;pyridin-3-ylboronic acid;4-(4-pyridin-3-ylphenyl)benzoic acid;1-[4-(4-pyridin-3-ylphenyl)phenyl]ethanone;[4-(4-pyridin-3-ylphenyl)phenyl]methanol;bromide has a molecular weight of 2037.05 g/mol, XLogP of 25.29, 20 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;3-[4-[4-(bromomethyl)phenyl]phenyl]pyridine;1-[4-(4-bromophenyl)phenyl]ethanone;3-[4-(4-but-3-enylphenyl)phenyl]pyridine;hydride;oxolane;prop-1-ene;pyridin-3-ylboronic acid;4-(4-pyridin-3-ylphenyl)benzoic acid;1-[4-(4-pyridin-3-ylphenyl)phenyl]ethanone;[4-(4-pyridin-3-ylphenyl)phenyl]methanol;bromide is sourced from PubChem (CID 159733866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).