magnesium;sodium;1-(2-azidopropan-2-yl)-4-bromobenzene;bis(2-[4-(2-azidopropan-2-yl)phenyl]-5-methoxy-3-phenyl-1,6-naphthyridine);2-(4-bromophenyl)propan-2-ol;tert-butyl N-(2-chloro-3-formyl-4-pyridinyl)carbamate;carbanide;1,2-diphenylethanone;ethyl 4-bromobenzoate;methanolate;N-methoxy-N-methyl-2-phenylacetamide;bromide;hydrochloride

C112H117Br4Cl2MgN16NaO12 — CID 159908950

About magnesium;sodium;1-(2-azidopropan-2-yl)-4-bromobenzene;bis(2-[4-(2-azidopropan-2-yl)phenyl]-5-methoxy-3-phenyl-1,6-naphthyridine);2-(4-bromophenyl)propan-2-ol;tert-butyl N-(2-chloro-3-formyl-4-pyridinyl)carbamate;carbanide;1,2-diphenylethanone;ethyl 4-bromobenzoate;methanolate;N-methoxy-N-methyl-2-phenylacetamide;bromide;hydrochloride

magnesium;sodium;1-(2-azidopropan-2-yl)-4-bromobenzene;bis(2-[4-(2-azidopropan-2-yl)phenyl]-5-methoxy-3-phenyl-1,6-naphthyridine);2-(4-bromophenyl)propan-2-ol;tert-butyl N-(2-chloro-3-formyl-4-pyridinyl)carbamate;carbanide;1,2-diphenylethanone;ethyl 4-bromobenzoate;methanolate;N-methoxy-N-methyl-2-phenylacetamide;bromide;hydrochloride (PubChem CID 159908950) has the molecular formula C112H117Br4Cl2MgN16NaO12 and a molecular weight of 2317.08 g/mol. Its IUPAC name is magnesium;sodium;1-(2-azidopropan-2-yl)-4-bromobenzene;bis(2-[4-(2-azidopropan-2-yl)phenyl]-5-methoxy-3-phenyl-1,6-naphthyridine);2-(4-bromophenyl)propan-2-ol;tert-butyl N-(2-chloro-3-formyl-4-pyridinyl)carbamate;carbanide;1,2-diphenylethanone;ethyl 4-bromobenzoate;methanolate;N-methoxy-N-methyl-2-phenylacetamide;bromide;hydrochloride.

Molecular Properties

• Compound Name: magnesium;sodium;1-(2-azidopropan-2-yl)-4-bromobenzene;bis(2-[4-(2-azidopropan-2-yl)phenyl]-5-methoxy-3-phenyl-1,6-naphthyridine);2-(4-bromophenyl)propan-2-ol;tert-butyl N-(2-chloro-3-formyl-4-pyridinyl)carbamate;carbanide;1,2-diphenylethanone;ethyl 4-bromobenzoate;methanolate;N-methoxy-N-methyl-2-phenylacetamide;bromide;hydrochloride
• PubChem CID: 159908950
• Molecular Formula: C112H117Br4Cl2MgN16NaO12
• Molecular Weight: 2317.08 g/mol
• Exact Mass: 2310.49
• IUPAC Name: magnesium;sodium;1-(2-azidopropan-2-yl)-4-bromobenzene;bis(2-[4-(2-azidopropan-2-yl)phenyl]-5-methoxy-3-phenyl-1,6-naphthyridine);2-(4-bromophenyl)propan-2-ol;tert-butyl N-(2-chloro-3-formyl-4-pyridinyl)carbamate;carbanide;1,2-diphenylethanone;ethyl 4-bromobenzoate;methanolate;N-methoxy-N-methyl-2-phenylacetamide;bromide;hydrochloride
• SMILES: CC(C)(C)OC(=O)Nc1ccnc(Cl)c1C=O.CC(C)(N=[N+]=[N-])c1ccc(Br)cc1.CC(C)(O)c1ccc(Br)cc1.CCOC(=O)c1ccc(Br)cc1.CON(C)C(=O)Cc1ccccc1.COc1nccc2nc(-c3ccc(C(C)(C)N=[N+]=[N-])cc3)c(-c3ccccc3)cc12.COc1nccc2nc(-c3ccc(C(C)(C)N=[N+]=[N-])cc3)c(-c3ccccc3)cc12.C[O-].Cl.O=C(Cc1ccccc1)c1ccccc1.[Br-].[CH3-].[Mg+2].[Na+]
• InChI: InChI=1S/2C24H21N5O.C14H12O.C11H13ClN2O3.C10H13NO2.C9H10BrN3.C9H9BrO2.C9H11BrO.CH3O.CH3.BrH.ClH.Mg.Na/c2*1-24(2,28-29-25)18-11-9-17(10-12-18)22-19(16-7-5-4-6-8-16)15-20-21(27-22)13-14-26-23(20)30-3;15-14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12;1-11(2,3)17-10(16)14-8-4-5-13-9(12)7(8)6-15;1-11(13-2)10(12)8-9-6-4-3-5-7-9;1-9(2,12-13-11)7-3-5-8(10)6-4-7;1-2-12-9(11)7-3-5-8(10)6-4-7;1-9(2,11)7-3-5-8(10)6-4-7;1-2;;;;;/h2*4-15H,1-3H3;1-10H,11H2;4-6H,1-3H3,(H,13,14,16);3-7H,8H2,1-2H3;3-6H,1-2H3;3-6H,2H2,1H3;3-6,11H,1-2H3;1H3;1H3;2*1H;;/q;;;;;;;;2*-1;;;+2;+1/p-1
• InChIKey: PGDYBSOCNNMHII-UHFFFAOYSA-M
• XLogP: 23.06
• TPSA: 400.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 20
• Rotatable Bonds: 23
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2317.08
LogP ≤ 5	23.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of magnesium;sodium;1-(2-azidopropan-2-yl)-4-bromobenzene;bis(2-[4-(2-azidopropan-2-yl)phenyl]-5-methoxy-3-phenyl-1,6-naphthyridine);2-(4-bromophenyl)propan-2-ol;tert-butyl N-(2-chloro-3-formyl-4-pyridinyl)carbamate;carbanide;1,2-diphenylethanone;ethyl 4-bromobenzoate;methanolate;N-methoxy-N-methyl-2-phenylacetamide;bromide;hydrochloride?

The IUPAC name of magnesium;sodium;1-(2-azidopropan-2-yl)-4-bromobenzene;bis(2-[4-(2-azidopropan-2-yl)phenyl]-5-methoxy-3-phenyl-1,6-naphthyridine);2-(4-bromophenyl)propan-2-ol;tert-butyl N-(2-chloro-3-formyl-4-pyridinyl)carbamate;carbanide;1,2-diphenylethanone;ethyl 4-bromobenzoate;methanolate;N-methoxy-N-methyl-2-phenylacetamide;bromide;hydrochloride (CID 159908950) is magnesium;sodium;1-(2-azidopropan-2-yl)-4-bromobenzene;bis(2-[4-(2-azidopropan-2-yl)phenyl]-5-methoxy-3-phenyl-1,6-naphthyridine);2-(4-bromophenyl)propan-2-ol;tert-butyl N-(2-chloro-3-formyl-4-pyridinyl)carbamate;carbanide;1,2-diphenylethanone;ethyl 4-bromobenzoate;methanolate;N-methoxy-N-methyl-2-phenylacetamide;bromide;hydrochloride.

What is the SMILES notation for magnesium;sodium;1-(2-azidopropan-2-yl)-4-bromobenzene;bis(2-[4-(2-azidopropan-2-yl)phenyl]-5-methoxy-3-phenyl-1,6-naphthyridine);2-(4-bromophenyl)propan-2-ol;tert-butyl N-(2-chloro-3-formyl-4-pyridinyl)carbamate;carbanide;1,2-diphenylethanone;ethyl 4-bromobenzoate;methanolate;N-methoxy-N-methyl-2-phenylacetamide;bromide;hydrochloride?

The canonical SMILES for magnesium;sodium;1-(2-azidopropan-2-yl)-4-bromobenzene;bis(2-[4-(2-azidopropan-2-yl)phenyl]-5-methoxy-3-phenyl-1,6-naphthyridine);2-(4-bromophenyl)propan-2-ol;tert-butyl N-(2-chloro-3-formyl-4-pyridinyl)carbamate;carbanide;1,2-diphenylethanone;ethyl 4-bromobenzoate;methanolate;N-methoxy-N-methyl-2-phenylacetamide;bromide;hydrochloride is CC(C)(C)OC(=O)Nc1ccnc(Cl)c1C=O.CC(C)(N=[N+]=[N-])c1ccc(Br)cc1.CC(C)(O)c1ccc(Br)cc1.CCOC(=O)c1ccc(Br)cc1.CON(C)C(=O)Cc1ccccc1.COc1nccc2nc(-c3ccc(C(C)(C)N=[N+]=[N-])cc3)c(-c3ccccc3)cc12.COc1nccc2nc(-c3ccc(C(C)(C)N=[N+]=[N-])cc3)c(-c3ccccc3)cc12.C[O-].Cl.O=C(Cc1ccccc1)c1ccccc1.[Br-].[CH3-].[Mg+2].[Na+].

What is the InChIKey of magnesium;sodium;1-(2-azidopropan-2-yl)-4-bromobenzene;bis(2-[4-(2-azidopropan-2-yl)phenyl]-5-methoxy-3-phenyl-1,6-naphthyridine);2-(4-bromophenyl)propan-2-ol;tert-butyl N-(2-chloro-3-formyl-4-pyridinyl)carbamate;carbanide;1,2-diphenylethanone;ethyl 4-bromobenzoate;methanolate;N-methoxy-N-methyl-2-phenylacetamide;bromide;hydrochloride?

The InChIKey is PGDYBSOCNNMHII-UHFFFAOYSA-M. The full InChI is InChI=1S/2C24H21N5O.C14H12O.C11H13ClN2O3.C10H13NO2.C9H10BrN3.C9H9BrO2.C9H11BrO.CH3O.CH3.BrH.ClH.Mg.Na/c2*1-24(2,28-29-25)18-11-9-17(10-12-18)22-19(16-7-5-4-6-8-16)15-20-21(27-22)13-14-26-23(20)30-3;15-14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12;1-11(2,3)17-10(16)14-8-4-5-13-9(12)7(8)6-15;1-11(13-2)10(12)8-9-6-4-3-5-7-9;1-9(2,12-13-11)7-3-5-8(10)6-4-7;1-2-12-9(11)7-3-5-8(10)6-4-7;1-9(2,11)7-3-5-8(10)6-4-7;1-2;;;;;/h2*4-15H,1-3H3;1-10H,11H2;4-6H,1-3H3,(H,13,14,16);3-7H,8H2,1-2H3;3-6H,1-2H3;3-6H,2H2,1H3;3-6,11H,1-2H3;1H3;1H3;2*1H;;/q;;;;;;;;2*-1;;;+2;+1/p-1.

What are the key properties of magnesium;sodium;1-(2-azidopropan-2-yl)-4-bromobenzene;bis(2-[4-(2-azidopropan-2-yl)phenyl]-5-methoxy-3-phenyl-1,6-naphthyridine);2-(4-bromophenyl)propan-2-ol;tert-butyl N-(2-chloro-3-formyl-4-pyridinyl)carbamate;carbanide;1,2-diphenylethanone;ethyl 4-bromobenzoate;methanolate;N-methoxy-N-methyl-2-phenylacetamide;bromide;hydrochloride?

magnesium;sodium;1-(2-azidopropan-2-yl)-4-bromobenzene;bis(2-[4-(2-azidopropan-2-yl)phenyl]-5-methoxy-3-phenyl-1,6-naphthyridine);2-(4-bromophenyl)propan-2-ol;tert-butyl N-(2-chloro-3-formyl-4-pyridinyl)carbamate;carbanide;1,2-diphenylethanone;ethyl 4-bromobenzoate;methanolate;N-methoxy-N-methyl-2-phenylacetamide;bromide;hydrochloride has a molecular weight of 2317.08 g/mol, XLogP of 23.06, 23 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for magnesium;sodium;1-(2-azidopropan-2-yl)-4-bromobenzene;bis(2-[4-(2-azidopropan-2-yl)phenyl]-5-methoxy-3-phenyl-1,6-naphthyridine);2-(4-bromophenyl)propan-2-ol;tert-butyl N-(2-chloro-3-formyl-4-pyridinyl)carbamate;carbanide;1,2-diphenylethanone;ethyl 4-bromobenzoate;methanolate;N-methoxy-N-methyl-2-phenylacetamide;bromide;hydrochloride is sourced from PubChem (CID 159908950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).