magnesium;3,4-dichloro-1-methylpyrrole-2,5-dione;ethane;1-methyl-3,4-bis(6-phenylmethoxy-1H-indol-3-yl)pyrrole-2,5-dione;6-phenylmethoxy-1H-indole;bromide

C57H48BrCl2MgN5O7 — CID 157205797

IUPACmagnesium;3,4-dichloro-1-methylpyrrole-2,5-dione;ethane;1-methyl-3,4-bis(6-phenylmethoxy-1H-indol-3-yl)pyrrole-2,5-dione;6-phenylmethoxy-1H-indole;bromide
SMILESCN1C(=O)C(Cl)=C(Cl)C1=O.CN1C(=O)C(c2c[nH]c3cc(OCc4ccccc4)ccc23)=C(c2c[nH]c3cc(OCc4ccccc4)ccc23)C1=O.[Br-].[CH2-]C.[Mg+2].c1ccc(COc2ccc3cc[nH]c3c2)cc1
InChIInChI=1S/C35H27N3O4.C15H13NO.C5H3Cl2NO2.C2H5.BrH.Mg/c1-38-34(39)32(28-18-36-30-16-24(12-14-26(28)30)41-20-22-8-4-2-5-9-22)33(35(38)40)29-19-37-31-17-25(13-15-27(29)31)42-21-23-10-6-3-7-11-23;1-2-4-12(5-3-1)11-17-14-7-6-13-8-9-16-15(13)10-14;1-8-4(9)2(6)3(7)5(8)10;1-2;;/h2-19,36-37H,20-21H2,1H3;1-10,16H,11H2;1H3;1H2,2H3;1H;/q;;;-1;;+2/p-1
InChIKeyNWDURKKGDWRUPO-UHFFFAOYSA-M
MW1090.15 g/mol
LogP8.60
Rot. Bonds11

About magnesium;3,4-dichloro-1-methylpyrrole-2,5-dione;ethane;1-methyl-3,4-bis(6-phenylmethoxy-1H-indol-3-yl)pyrrole-2,5-dione;6-phenylmethoxy-1H-indole;bromide

magnesium;3,4-dichloro-1-methylpyrrole-2,5-dione;ethane;1-methyl-3,4-bis(6-phenylmethoxy-1H-indol-3-yl)pyrrole-2,5-dione;6-phenylmethoxy-1H-indole;bromide (PubChem CID 157205797) has the molecular formula C57H48BrCl2MgN5O7 and a molecular weight of 1090.15 g/mol. Its IUPAC name is magnesium;3,4-dichloro-1-methylpyrrole-2,5-dione;ethane;1-methyl-3,4-bis(6-phenylmethoxy-1H-indol-3-yl)pyrrole-2,5-dione;6-phenylmethoxy-1H-indole;bromide.

Molecular Properties

Compound Namemagnesium;3,4-dichloro-1-methylpyrrole-2,5-dione;ethane;1-methyl-3,4-bis(6-phenylmethoxy-1H-indol-3-yl)pyrrole-2,5-dione;6-phenylmethoxy-1H-indole;bromide
PubChem CID157205797
Molecular FormulaC57H48BrCl2MgN5O7
Molecular Weight1090.15 g/mol
Exact Mass1087.20
IUPAC Namemagnesium;3,4-dichloro-1-methylpyrrole-2,5-dione;ethane;1-methyl-3,4-bis(6-phenylmethoxy-1H-indol-3-yl)pyrrole-2,5-dione;6-phenylmethoxy-1H-indole;bromide
SMILESCN1C(=O)C(Cl)=C(Cl)C1=O.CN1C(=O)C(c2c[nH]c3cc(OCc4ccccc4)ccc23)=C(c2c[nH]c3cc(OCc4ccccc4)ccc23)C1=O.[Br-].[CH2-]C.[Mg+2].c1ccc(COc2ccc3cc[nH]c3c2)cc1
InChIInChI=1S/C35H27N3O4.C15H13NO.C5H3Cl2NO2.C2H5.BrH.Mg/c1-38-34(39)32(28-18-36-30-16-24(12-14-26(28)30)41-20-22-8-4-2-5-9-22)33(35(38)40)29-19-37-31-17-25(13-15-27(29)31)42-21-23-10-6-3-7-11-23;1-2-4-12(5-3-1)11-17-14-7-6-13-8-9-16-15(13)10-14;1-8-4(9)2(6)3(7)5(8)10;1-2;;/h2-19,36-37H,20-21H2,1H3;1-10,16H,11H2;1H3;1H2,2H3;1H;/q;;;-1;;+2/p-1
InChIKeyNWDURKKGDWRUPO-UHFFFAOYSA-M
XLogP8.60
TPSA149.82 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001090.15
LogP ≤ 58.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze magnesium;3,4-dichloro-1-methylpyrrole-2,5-dione;ethane;1-methyl-3,4-bis(6-phenylmethoxy-1H-indol-3-yl)pyrrole-2,5-dione;6-phenylmethoxy-1H-indole;bromide with MolForge

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Frequently Asked Questions

What is the IUPAC name of magnesium;3,4-dichloro-1-methylpyrrole-2,5-dione;ethane;1-methyl-3,4-bis(6-phenylmethoxy-1H-indol-3-yl)pyrrole-2,5-dione;6-phenylmethoxy-1H-indole;bromide?
The IUPAC name of magnesium;3,4-dichloro-1-methylpyrrole-2,5-dione;ethane;1-methyl-3,4-bis(6-phenylmethoxy-1H-indol-3-yl)pyrrole-2,5-dione;6-phenylmethoxy-1H-indole;bromide (CID 157205797) is magnesium;3,4-dichloro-1-methylpyrrole-2,5-dione;ethane;1-methyl-3,4-bis(6-phenylmethoxy-1H-indol-3-yl)pyrrole-2,5-dione;6-phenylmethoxy-1H-indole;bromide.
What is the SMILES notation for magnesium;3,4-dichloro-1-methylpyrrole-2,5-dione;ethane;1-methyl-3,4-bis(6-phenylmethoxy-1H-indol-3-yl)pyrrole-2,5-dione;6-phenylmethoxy-1H-indole;bromide?
The canonical SMILES for magnesium;3,4-dichloro-1-methylpyrrole-2,5-dione;ethane;1-methyl-3,4-bis(6-phenylmethoxy-1H-indol-3-yl)pyrrole-2,5-dione;6-phenylmethoxy-1H-indole;bromide is CN1C(=O)C(Cl)=C(Cl)C1=O.CN1C(=O)C(c2c[nH]c3cc(OCc4ccccc4)ccc23)=C(c2c[nH]c3cc(OCc4ccccc4)ccc23)C1=O.[Br-].[CH2-]C.[Mg+2].c1ccc(COc2ccc3cc[nH]c3c2)cc1.
What is the InChIKey of magnesium;3,4-dichloro-1-methylpyrrole-2,5-dione;ethane;1-methyl-3,4-bis(6-phenylmethoxy-1H-indol-3-yl)pyrrole-2,5-dione;6-phenylmethoxy-1H-indole;bromide?
The InChIKey is NWDURKKGDWRUPO-UHFFFAOYSA-M. The full InChI is InChI=1S/C35H27N3O4.C15H13NO.C5H3Cl2NO2.C2H5.BrH.Mg/c1-38-34(39)32(28-18-36-30-16-24(12-14-26(28)30)41-20-22-8-4-2-5-9-22)33(35(38)40)29-19-37-31-17-25(13-15-27(29)31)42-21-23-10-6-3-7-11-23;1-2-4-12(5-3-1)11-17-14-7-6-13-8-9-16-15(13)10-14;1-8-4(9)2(6)3(7)5(8)10;1-2;;/h2-19,36-37H,20-21H2,1H3;1-10,16H,11H2;1H3;1H2,2H3;1H;/q;;;-1;;+2/p-1.
What are the key properties of magnesium;3,4-dichloro-1-methylpyrrole-2,5-dione;ethane;1-methyl-3,4-bis(6-phenylmethoxy-1H-indol-3-yl)pyrrole-2,5-dione;6-phenylmethoxy-1H-indole;bromide?
magnesium;3,4-dichloro-1-methylpyrrole-2,5-dione;ethane;1-methyl-3,4-bis(6-phenylmethoxy-1H-indol-3-yl)pyrrole-2,5-dione;6-phenylmethoxy-1H-indole;bromide has a molecular weight of 1090.15 g/mol, XLogP of 8.60, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;3,4-dichloro-1-methylpyrrole-2,5-dione;ethane;1-methyl-3,4-bis(6-phenylmethoxy-1H-indol-3-yl)pyrrole-2,5-dione;6-phenylmethoxy-1H-indole;bromide is sourced from PubChem (CID 157205797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).