magnesium;bis(2,4-bis(3-chlorophenyl)-6-phenyl-1,3,5-triazine);chlorobenzene;2,4-dichloro-6-phenyl-1,3,5-triazine;oxolane;2-phenyl-4,6-bis[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;bromide

C106H104B4BrCl7MgN12O9 — CID 161468383

IUPACmagnesium;bis(2,4-bis(3-chlorophenyl)-6-phenyl-1,3,5-triazine);chlorobenzene;2,4-dichloro-6-phenyl-1,3,5-triazine;oxolane;2-phenyl-4,6-bis[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;bromide
SMILESC1CCOC1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc(B5OC(C)(C)C(C)(C)O5)c4)n3)c2)OC1(C)C.Clc1c[c-]ccc1.Clc1cccc(-c2nc(-c3ccccc3)nc(-c3cccc(Cl)c3)n2)c1.Clc1cccc(-c2nc(-c3ccccc3)nc(-c3cccc(Cl)c3)n2)c1.Clc1nc(Cl)nc(-c2ccccc2)n1.[Br-].[Mg+2]
InChIInChI=1S/C33H37B2N3O4.2C21H13Cl2N3.C12H24B2O4.C9H5Cl2N3.C6H4Cl.C4H8O.BrH.Mg/c1-30(2)31(3,4)40-34(39-30)25-18-12-16-23(20-25)28-36-27(22-14-10-9-11-15-22)37-29(38-28)24-17-13-19-26(21-24)35-41-32(5,6)33(7,8)42-35;2*22-17-10-4-8-15(12-17)20-24-19(14-6-2-1-3-7-14)25-21(26-20)16-9-5-11-18(23)13-16;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;10-8-12-7(13-9(11)14-8)6-4-2-1-3-5-6;7-6-4-2-1-3-5-6;1-2-4-5-3-1;;/h9-21H,1-8H3;2*1-13H;1-8H3;1-5H;1-2,4-5H;1-4H2;1H;/q;;;;;-1;;;+2/p-1
InChIKeyPALAXSUWNIQHJZ-UHFFFAOYSA-M
MW2085.70 g/mol
LogP22.48
Rot. Bonds13

About magnesium;bis(2,4-bis(3-chlorophenyl)-6-phenyl-1,3,5-triazine);chlorobenzene;2,4-dichloro-6-phenyl-1,3,5-triazine;oxolane;2-phenyl-4,6-bis[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;bromide

magnesium;bis(2,4-bis(3-chlorophenyl)-6-phenyl-1,3,5-triazine);chlorobenzene;2,4-dichloro-6-phenyl-1,3,5-triazine;oxolane;2-phenyl-4,6-bis[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;bromide (PubChem CID 161468383) has the molecular formula C106H104B4BrCl7MgN12O9 and a molecular weight of 2085.70 g/mol. Its IUPAC name is magnesium;bis(2,4-bis(3-chlorophenyl)-6-phenyl-1,3,5-triazine);chlorobenzene;2,4-dichloro-6-phenyl-1,3,5-triazine;oxolane;2-phenyl-4,6-bis[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;bromide.

Molecular Properties

Compound Namemagnesium;bis(2,4-bis(3-chlorophenyl)-6-phenyl-1,3,5-triazine);chlorobenzene;2,4-dichloro-6-phenyl-1,3,5-triazine;oxolane;2-phenyl-4,6-bis[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;bromide
PubChem CID161468383
Molecular FormulaC106H104B4BrCl7MgN12O9
Molecular Weight2085.70 g/mol
Exact Mass2080.53
IUPAC Namemagnesium;bis(2,4-bis(3-chlorophenyl)-6-phenyl-1,3,5-triazine);chlorobenzene;2,4-dichloro-6-phenyl-1,3,5-triazine;oxolane;2-phenyl-4,6-bis[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;bromide
SMILESC1CCOC1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc(B5OC(C)(C)C(C)(C)O5)c4)n3)c2)OC1(C)C.Clc1c[c-]ccc1.Clc1cccc(-c2nc(-c3ccccc3)nc(-c3cccc(Cl)c3)n2)c1.Clc1cccc(-c2nc(-c3ccccc3)nc(-c3cccc(Cl)c3)n2)c1.Clc1nc(Cl)nc(-c2ccccc2)n1.[Br-].[Mg+2]
InChIInChI=1S/C33H37B2N3O4.2C21H13Cl2N3.C12H24B2O4.C9H5Cl2N3.C6H4Cl.C4H8O.BrH.Mg/c1-30(2)31(3,4)40-34(39-30)25-18-12-16-23(20-25)28-36-27(22-14-10-9-11-15-22)37-29(38-28)24-17-13-19-26(21-24)35-41-32(5,6)33(7,8)42-35;2*22-17-10-4-8-15(12-17)20-24-19(14-6-2-1-3-7-14)25-21(26-20)16-9-5-11-18(23)13-16;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;10-8-12-7(13-9(11)14-8)6-4-2-1-3-5-6;7-6-4-2-1-3-5-6;1-2-4-5-3-1;;/h9-21H,1-8H3;2*1-13H;1-8H3;1-5H;1-2,4-5H;1-4H2;1H;/q;;;;;-1;;;+2/p-1
InChIKeyPALAXSUWNIQHJZ-UHFFFAOYSA-M
XLogP22.48
TPSA237.75 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds13
Heavy Atoms140
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002085.70
LogP ≤ 522.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

Analyze magnesium;bis(2,4-bis(3-chlorophenyl)-6-phenyl-1,3,5-triazine);chlorobenzene;2,4-dichloro-6-phenyl-1,3,5-triazine;oxolane;2-phenyl-4,6-bis[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;bromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-Chlorophenyl)-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 157584440
2-(3-Chlorophenyl)-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 159587968
Magnesium;benzene;1-(3-bromophenyl)-3,5-diphenylbenzene;2-chloro-4-[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazine;(3-chlorophenyl)boronic acid;2-(3-chlorophenyl)-4-[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazine;2,4-dichloro-6-phenyl-1,3,5-triazine;oxolane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;2,4,6-trichloro-1,3,5-triazine;bromide
CID 160700754
CID 163991059
CID 163991059

Frequently Asked Questions

What is the IUPAC name of magnesium;bis(2,4-bis(3-chlorophenyl)-6-phenyl-1,3,5-triazine);chlorobenzene;2,4-dichloro-6-phenyl-1,3,5-triazine;oxolane;2-phenyl-4,6-bis[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;bromide?
The IUPAC name of magnesium;bis(2,4-bis(3-chlorophenyl)-6-phenyl-1,3,5-triazine);chlorobenzene;2,4-dichloro-6-phenyl-1,3,5-triazine;oxolane;2-phenyl-4,6-bis[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;bromide (CID 161468383) is magnesium;bis(2,4-bis(3-chlorophenyl)-6-phenyl-1,3,5-triazine);chlorobenzene;2,4-dichloro-6-phenyl-1,3,5-triazine;oxolane;2-phenyl-4,6-bis[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;bromide.
What is the SMILES notation for magnesium;bis(2,4-bis(3-chlorophenyl)-6-phenyl-1,3,5-triazine);chlorobenzene;2,4-dichloro-6-phenyl-1,3,5-triazine;oxolane;2-phenyl-4,6-bis[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;bromide?
The canonical SMILES for magnesium;bis(2,4-bis(3-chlorophenyl)-6-phenyl-1,3,5-triazine);chlorobenzene;2,4-dichloro-6-phenyl-1,3,5-triazine;oxolane;2-phenyl-4,6-bis[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;bromide is C1CCOC1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc(B5OC(C)(C)C(C)(C)O5)c4)n3)c2)OC1(C)C.Clc1c[c-]ccc1.Clc1cccc(-c2nc(-c3ccccc3)nc(-c3cccc(Cl)c3)n2)c1.Clc1cccc(-c2nc(-c3ccccc3)nc(-c3cccc(Cl)c3)n2)c1.Clc1nc(Cl)nc(-c2ccccc2)n1.[Br-].[Mg+2].
What is the InChIKey of magnesium;bis(2,4-bis(3-chlorophenyl)-6-phenyl-1,3,5-triazine);chlorobenzene;2,4-dichloro-6-phenyl-1,3,5-triazine;oxolane;2-phenyl-4,6-bis[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;bromide?
The InChIKey is PALAXSUWNIQHJZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C33H37B2N3O4.2C21H13Cl2N3.C12H24B2O4.C9H5Cl2N3.C6H4Cl.C4H8O.BrH.Mg/c1-30(2)31(3,4)40-34(39-30)25-18-12-16-23(20-25)28-36-27(22-14-10-9-11-15-22)37-29(38-28)24-17-13-19-26(21-24)35-41-32(5,6)33(7,8)42-35;2*22-17-10-4-8-15(12-17)20-24-19(14-6-2-1-3-7-14)25-21(26-20)16-9-5-11-18(23)13-16;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;10-8-12-7(13-9(11)14-8)6-4-2-1-3-5-6;7-6-4-2-1-3-5-6;1-2-4-5-3-1;;/h9-21H,1-8H3;2*1-13H;1-8H3;1-5H;1-2,4-5H;1-4H2;1H;/q;;;;;-1;;;+2/p-1.
What are the key properties of magnesium;bis(2,4-bis(3-chlorophenyl)-6-phenyl-1,3,5-triazine);chlorobenzene;2,4-dichloro-6-phenyl-1,3,5-triazine;oxolane;2-phenyl-4,6-bis[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;bromide?
magnesium;bis(2,4-bis(3-chlorophenyl)-6-phenyl-1,3,5-triazine);chlorobenzene;2,4-dichloro-6-phenyl-1,3,5-triazine;oxolane;2-phenyl-4,6-bis[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;bromide has a molecular weight of 2085.70 g/mol, XLogP of 22.48, 13 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;bis(2,4-bis(3-chlorophenyl)-6-phenyl-1,3,5-triazine);chlorobenzene;2,4-dichloro-6-phenyl-1,3,5-triazine;oxolane;2-phenyl-4,6-bis[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;bromide is sourced from PubChem (CID 161468383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).