magnesium;(3-aminophenyl)-(3-bromo-4-phenylmethoxyphenyl)methanol;(3-aminophenyl)-(4-phenylmethoxyphenyl)methanol;N,N-bis(trimethylsilyl)aniline;2-bromo-4-methoxy-1-phenylmethoxybenzene;N-[3-[(3-bromo-4-phenylmethoxyphenyl)-hydroxymethyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;2-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid;cyclopropylmethanamine;N-[3-[(cyclopropylmethylamino)-(4-phenylmethoxyphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;N-[3-[hydroxy-(4-phenylmethoxyphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;thionyl dichloride;chloride

C182H174Br3Cl3MgN20O17SSi2 — CID 160717077

About magnesium;(3-aminophenyl)-(3-bromo-4-phenylmethoxyphenyl)methanol;(3-aminophenyl)-(4-phenylmethoxyphenyl)methanol;N,N-bis(trimethylsilyl)aniline;2-bromo-4-methoxy-1-phenylmethoxybenzene;N-[3-[(3-bromo-4-phenylmethoxyphenyl)-hydroxymethyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;2-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid;cyclopropylmethanamine;N-[3-[(cyclopropylmethylamino)-(4-phenylmethoxyphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;N-[3-[hydroxy-(4-phenylmethoxyphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;thionyl dichloride;chloride

magnesium;(3-aminophenyl)-(3-bromo-4-phenylmethoxyphenyl)methanol;(3-aminophenyl)-(4-phenylmethoxyphenyl)methanol;N,N-bis(trimethylsilyl)aniline;2-bromo-4-methoxy-1-phenylmethoxybenzene;N-[3-[(3-bromo-4-phenylmethoxyphenyl)-hydroxymethyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;2-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid;cyclopropylmethanamine;N-[3-[(cyclopropylmethylamino)-(4-phenylmethoxyphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;N-[3-[hydroxy-(4-phenylmethoxyphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;thionyl dichloride;chloride (PubChem CID 160717077) has the molecular formula C182H174Br3Cl3MgN20O17SSi2 and a molecular weight of 3372.13 g/mol. Its IUPAC name is magnesium;(3-aminophenyl)-(3-bromo-4-phenylmethoxyphenyl)methanol;(3-aminophenyl)-(4-phenylmethoxyphenyl)methanol;N,N-bis(trimethylsilyl)aniline;2-bromo-4-methoxy-1-phenylmethoxybenzene;N-[3-[(3-bromo-4-phenylmethoxyphenyl)-hydroxymethyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;2-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid;cyclopropylmethanamine;N-[3-[(cyclopropylmethylamino)-(4-phenylmethoxyphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;N-[3-[hydroxy-(4-phenylmethoxyphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;thionyl dichloride;chloride.

Molecular Properties

• Compound Name: magnesium;(3-aminophenyl)-(3-bromo-4-phenylmethoxyphenyl)methanol;(3-aminophenyl)-(4-phenylmethoxyphenyl)methanol;N,N-bis(trimethylsilyl)aniline;2-bromo-4-methoxy-1-phenylmethoxybenzene;N-[3-[(3-bromo-4-phenylmethoxyphenyl)-hydroxymethyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;2-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid;cyclopropylmethanamine;N-[3-[(cyclopropylmethylamino)-(4-phenylmethoxyphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;N-[3-[hydroxy-(4-phenylmethoxyphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;thionyl dichloride;chloride
• PubChem CID: 160717077
• Molecular Formula: C182H174Br3Cl3MgN20O17SSi2
• Molecular Weight: 3372.13 g/mol
• Exact Mass: 3364.91
• IUPAC Name: magnesium;(3-aminophenyl)-(3-bromo-4-phenylmethoxyphenyl)methanol;(3-aminophenyl)-(4-phenylmethoxyphenyl)methanol;N,N-bis(trimethylsilyl)aniline;2-bromo-4-methoxy-1-phenylmethoxybenzene;N-[3-[(3-bromo-4-phenylmethoxyphenyl)-hydroxymethyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;2-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid;cyclopropylmethanamine;N-[3-[(cyclopropylmethylamino)-(4-phenylmethoxyphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;N-[3-[hydroxy-(4-phenylmethoxyphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;thionyl dichloride;chloride
• SMILES: COc1ccc(OCc2ccccc2)c(Br)c1.C[Si](C)(C)N(c1c[c-]ccc1)[Si](C)(C)C.Cc1cc(C(=O)O)n(-c2cccc(C#N)c2)n1.NCC1CC1.Nc1cccc(C(O)c2ccc(OCc3ccccc3)c(Br)c2)c1.Nc1cccc(C(O)c2ccc(OCc3ccccc3)cc2)c1.O=S(Cl)Cl.[C-]#[N+]c1cccc(-n2nc(C)cc2C(=O)Nc2cccc(C(NCC3CC3)c3ccc(OCc4ccccc4)cc3)c2)c1.[C-]#[N+]c1cccc(-n2nc(C)cc2C(=O)Nc2cccc(C(O)c3ccc(OCc4ccccc4)c(Br)c3)c2)c1.[C-]#[N+]c1cccc(-n2nc(C)cc2C(=O)Nc2cccc(C(O)c3ccc(OCc4ccccc4)cc3)c2)c1.[Cl-].[Mg+2]
• InChI: InChI=1S/C36H33N5O2.C32H25BrN4O3.C32H26N4O3.C20H18BrNO2.C20H19NO2.C14H13BrO2.C12H9N3O2.C12H22NSi2.C4H9N.Cl2OS.ClH.Mg/c1-25-20-34(41(40-25)32-13-7-11-30(22-32)37-2)36(42)39-31-12-6-10-29(21-31)35(38-23-26-14-15-26)28-16-18-33(19-17-28)43-24-27-8-4-3-5-9-27;1-21-16-29(37(36-21)27-13-7-11-25(19-27)34-2)32(39)35-26-12-6-10-23(17-26)31(38)24-14-15-30(28(33)18-24)40-20-22-8-4-3-5-9-22;1-22-18-30(36(35-22)28-13-7-11-26(20-28)33-2)32(38)34-27-12-6-10-25(19-27)31(37)24-14-16-29(17-15-24)39-21-23-8-4-3-5-9-23;21-18-12-16(20(23)15-7-4-8-17(22)11-15)9-10-19(18)24-13-14-5-2-1-3-6-14;21-18-8-4-7-17(13-18)20(22)16-9-11-19(12-10-16)23-14-15-5-2-1-3-6-15;1-16-12-7-8-14(13(15)9-12)17-10-11-5-3-2-4-6-11;1-8-5-11(12(16)17)15(14-8)10-4-2-3-9(6-10)7-13;1-14(2,3)13(15(4,5)6)12-10-8-7-9-11-12;5-3-4-1-2-4;1-4(2)3;;/h3-13,16-22,26,35,38H,14-15,23-24H2,1H3,(H,39,42);3-19,31,38H,20H2,1H3,(H,35,39);3-20,31,37H,21H2,1H3,(H,34,38);1-12,20,23H,13,22H2;1-13,20,22H,14,21H2;2-9H,10H2,1H3;2-6H,1H3,(H,16,17);7-8,10-11H,1-6H3;4H,1-3,5H2;;1H;/q;;;;;;;-1;;;;+2/p-1
• InChIKey: FHFGMWPJWRHDFO-UHFFFAOYSA-M
• XLogP: 38.10
• TPSA: 488.68 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 30
• Rotatable Bonds: 47
• Heavy Atoms: 229
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3372.13
LogP ≤ 5	38.10
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of magnesium;(3-aminophenyl)-(3-bromo-4-phenylmethoxyphenyl)methanol;(3-aminophenyl)-(4-phenylmethoxyphenyl)methanol;N,N-bis(trimethylsilyl)aniline;2-bromo-4-methoxy-1-phenylmethoxybenzene;N-[3-[(3-bromo-4-phenylmethoxyphenyl)-hydroxymethyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;2-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid;cyclopropylmethanamine;N-[3-[(cyclopropylmethylamino)-(4-phenylmethoxyphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;N-[3-[hydroxy-(4-phenylmethoxyphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;thionyl dichloride;chloride?

The IUPAC name of magnesium;(3-aminophenyl)-(3-bromo-4-phenylmethoxyphenyl)methanol;(3-aminophenyl)-(4-phenylmethoxyphenyl)methanol;N,N-bis(trimethylsilyl)aniline;2-bromo-4-methoxy-1-phenylmethoxybenzene;N-[3-[(3-bromo-4-phenylmethoxyphenyl)-hydroxymethyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;2-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid;cyclopropylmethanamine;N-[3-[(cyclopropylmethylamino)-(4-phenylmethoxyphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;N-[3-[hydroxy-(4-phenylmethoxyphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;thionyl dichloride;chloride (CID 160717077) is magnesium;(3-aminophenyl)-(3-bromo-4-phenylmethoxyphenyl)methanol;(3-aminophenyl)-(4-phenylmethoxyphenyl)methanol;N,N-bis(trimethylsilyl)aniline;2-bromo-4-methoxy-1-phenylmethoxybenzene;N-[3-[(3-bromo-4-phenylmethoxyphenyl)-hydroxymethyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;2-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid;cyclopropylmethanamine;N-[3-[(cyclopropylmethylamino)-(4-phenylmethoxyphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;N-[3-[hydroxy-(4-phenylmethoxyphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;thionyl dichloride;chloride.

What is the SMILES notation for magnesium;(3-aminophenyl)-(3-bromo-4-phenylmethoxyphenyl)methanol;(3-aminophenyl)-(4-phenylmethoxyphenyl)methanol;N,N-bis(trimethylsilyl)aniline;2-bromo-4-methoxy-1-phenylmethoxybenzene;N-[3-[(3-bromo-4-phenylmethoxyphenyl)-hydroxymethyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;2-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid;cyclopropylmethanamine;N-[3-[(cyclopropylmethylamino)-(4-phenylmethoxyphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;N-[3-[hydroxy-(4-phenylmethoxyphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;thionyl dichloride;chloride?

The canonical SMILES for magnesium;(3-aminophenyl)-(3-bromo-4-phenylmethoxyphenyl)methanol;(3-aminophenyl)-(4-phenylmethoxyphenyl)methanol;N,N-bis(trimethylsilyl)aniline;2-bromo-4-methoxy-1-phenylmethoxybenzene;N-[3-[(3-bromo-4-phenylmethoxyphenyl)-hydroxymethyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;2-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid;cyclopropylmethanamine;N-[3-[(cyclopropylmethylamino)-(4-phenylmethoxyphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;N-[3-[hydroxy-(4-phenylmethoxyphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;thionyl dichloride;chloride is COc1ccc(OCc2ccccc2)c(Br)c1.C[Si](C)(C)N(c1c[c-]ccc1)[Si](C)(C)C.Cc1cc(C(=O)O)n(-c2cccc(C#N)c2)n1.NCC1CC1.Nc1cccc(C(O)c2ccc(OCc3ccccc3)c(Br)c2)c1.Nc1cccc(C(O)c2ccc(OCc3ccccc3)cc2)c1.O=S(Cl)Cl.[C-]#[N+]c1cccc(-n2nc(C)cc2C(=O)Nc2cccc(C(NCC3CC3)c3ccc(OCc4ccccc4)cc3)c2)c1.[C-]#[N+]c1cccc(-n2nc(C)cc2C(=O)Nc2cccc(C(O)c3ccc(OCc4ccccc4)c(Br)c3)c2)c1.[C-]#[N+]c1cccc(-n2nc(C)cc2C(=O)Nc2cccc(C(O)c3ccc(OCc4ccccc4)cc3)c2)c1.[Cl-].[Mg+2].

What is the InChIKey of magnesium;(3-aminophenyl)-(3-bromo-4-phenylmethoxyphenyl)methanol;(3-aminophenyl)-(4-phenylmethoxyphenyl)methanol;N,N-bis(trimethylsilyl)aniline;2-bromo-4-methoxy-1-phenylmethoxybenzene;N-[3-[(3-bromo-4-phenylmethoxyphenyl)-hydroxymethyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;2-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid;cyclopropylmethanamine;N-[3-[(cyclopropylmethylamino)-(4-phenylmethoxyphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;N-[3-[hydroxy-(4-phenylmethoxyphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;thionyl dichloride;chloride?

The InChIKey is FHFGMWPJWRHDFO-UHFFFAOYSA-M. The full InChI is InChI=1S/C36H33N5O2.C32H25BrN4O3.C32H26N4O3.C20H18BrNO2.C20H19NO2.C14H13BrO2.C12H9N3O2.C12H22NSi2.C4H9N.Cl2OS.ClH.Mg/c1-25-20-34(41(40-25)32-13-7-11-30(22-32)37-2)36(42)39-31-12-6-10-29(21-31)35(38-23-26-14-15-26)28-16-18-33(19-17-28)43-24-27-8-4-3-5-9-27;1-21-16-29(37(36-21)27-13-7-11-25(19-27)34-2)32(39)35-26-12-6-10-23(17-26)31(38)24-14-15-30(28(33)18-24)40-20-22-8-4-3-5-9-22;1-22-18-30(36(35-22)28-13-7-11-26(20-28)33-2)32(38)34-27-12-6-10-25(19-27)31(37)24-14-16-29(17-15-24)39-21-23-8-4-3-5-9-23;21-18-12-16(20(23)15-7-4-8-17(22)11-15)9-10-19(18)24-13-14-5-2-1-3-6-14;21-18-8-4-7-17(13-18)20(22)16-9-11-19(12-10-16)23-14-15-5-2-1-3-6-15;1-16-12-7-8-14(13(15)9-12)17-10-11-5-3-2-4-6-11;1-8-5-11(12(16)17)15(14-8)10-4-2-3-9(6-10)7-13;1-14(2,3)13(15(4,5)6)12-10-8-7-9-11-12;5-3-4-1-2-4;1-4(2)3;;/h3-13,16-22,26,35,38H,14-15,23-24H2,1H3,(H,39,42);3-19,31,38H,20H2,1H3,(H,35,39);3-20,31,37H,21H2,1H3,(H,34,38);1-12,20,23H,13,22H2;1-13,20,22H,14,21H2;2-9H,10H2,1H3;2-6H,1H3,(H,16,17);7-8,10-11H,1-6H3;4H,1-3,5H2;;1H;/q;;;;;;;-1;;;;+2/p-1.

What are the key properties of magnesium;(3-aminophenyl)-(3-bromo-4-phenylmethoxyphenyl)methanol;(3-aminophenyl)-(4-phenylmethoxyphenyl)methanol;N,N-bis(trimethylsilyl)aniline;2-bromo-4-methoxy-1-phenylmethoxybenzene;N-[3-[(3-bromo-4-phenylmethoxyphenyl)-hydroxymethyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;2-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid;cyclopropylmethanamine;N-[3-[(cyclopropylmethylamino)-(4-phenylmethoxyphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;N-[3-[hydroxy-(4-phenylmethoxyphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;thionyl dichloride;chloride?

magnesium;(3-aminophenyl)-(3-bromo-4-phenylmethoxyphenyl)methanol;(3-aminophenyl)-(4-phenylmethoxyphenyl)methanol;N,N-bis(trimethylsilyl)aniline;2-bromo-4-methoxy-1-phenylmethoxybenzene;N-[3-[(3-bromo-4-phenylmethoxyphenyl)-hydroxymethyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;2-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid;cyclopropylmethanamine;N-[3-[(cyclopropylmethylamino)-(4-phenylmethoxyphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;N-[3-[hydroxy-(4-phenylmethoxyphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;thionyl dichloride;chloride has a molecular weight of 3372.13 g/mol, XLogP of 38.10, 47 rotatable bonds, 12 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for magnesium;(3-aminophenyl)-(3-bromo-4-phenylmethoxyphenyl)methanol;(3-aminophenyl)-(4-phenylmethoxyphenyl)methanol;N,N-bis(trimethylsilyl)aniline;2-bromo-4-methoxy-1-phenylmethoxybenzene;N-[3-[(3-bromo-4-phenylmethoxyphenyl)-hydroxymethyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;2-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid;cyclopropylmethanamine;N-[3-[(cyclopropylmethylamino)-(4-phenylmethoxyphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;N-[3-[hydroxy-(4-phenylmethoxyphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;thionyl dichloride;chloride is sourced from PubChem (CID 160717077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).