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

C136H113B3Br2Cl8MgN12O7 — CID 160700754

IUPACmagnesium;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
SMILESBrc1cccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)c1.C1CCOC1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.Clc1cccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c3)n2)c1.Clc1nc(-c2ccccc2)nc(-c2cccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2)n1.Clc1nc(Cl)nc(-c2ccccc2)n1.Clc1nc(Cl)nc(Cl)n1.OB(O)c1cccc(Cl)c1.[Br-].[Mg+2].[c-]1ccccc1
InChIInChI=1S/C39H26ClN3.C33H22ClN3.C24H17Br.C12H24B2O4.C9H5Cl2N3.C6H6BClO2.C6H5.C4H8O.C3Cl3N3.BrH.Mg/c40-36-21-11-20-32(26-36)39-42-37(29-16-8-3-9-17-29)41-38(43-39)31-19-10-18-30(22-31)35-24-33(27-12-4-1-5-13-27)23-34(25-35)28-14-6-2-7-15-28;34-33-36-31(25-15-8-3-9-16-25)35-32(37-33)27-18-10-17-26(19-27)30-21-28(23-11-4-1-5-12-23)20-29(22-30)24-13-6-2-7-14-24;25-24-13-7-12-20(17-24)23-15-21(18-8-3-1-4-9-18)14-22(16-23)19-10-5-2-6-11-19;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;8-6-3-1-2-5(4-6)7(9)10;1-2-4-6-5-3-1;1-2-4-5-3-1;4-1-7-2(5)9-3(6)8-1;;/h1-26H;1-22H;1-17H;1-8H3;1-5H;1-4,9-10H;1-5H;1-4H2;;1H;/q;;;;;;-1;;;;+2/p-1
InChIKeyHMFHOKNYIXXGBB-UHFFFAOYSA-M
MW2527.65 g/mol
LogP32.69
Rot. Bonds17

About 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

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 (PubChem CID 160700754) has the molecular formula C136H113B3Br2Cl8MgN12O7 and a molecular weight of 2527.65 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namemagnesium;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
PubChem CID160700754
Molecular FormulaC136H113B3Br2Cl8MgN12O7
Molecular Weight2527.65 g/mol
Exact Mass2520.49
IUPAC Namemagnesium;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
SMILESBrc1cccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)c1.C1CCOC1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.Clc1cccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c3)n2)c1.Clc1nc(-c2ccccc2)nc(-c2cccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2)n1.Clc1nc(Cl)nc(-c2ccccc2)n1.Clc1nc(Cl)nc(Cl)n1.OB(O)c1cccc(Cl)c1.[Br-].[Mg+2].[c-]1ccccc1
InChIInChI=1S/C39H26ClN3.C33H22ClN3.C24H17Br.C12H24B2O4.C9H5Cl2N3.C6H6BClO2.C6H5.C4H8O.C3Cl3N3.BrH.Mg/c40-36-21-11-20-32(26-36)39-42-37(29-16-8-3-9-17-29)41-38(43-39)31-19-10-18-30(22-31)35-24-33(27-12-4-1-5-13-27)23-34(25-35)28-14-6-2-7-15-28;34-33-36-31(25-15-8-3-9-16-25)35-32(37-33)27-18-10-17-26(19-27)30-21-28(23-11-4-1-5-12-23)20-29(22-30)24-13-6-2-7-14-24;25-24-13-7-12-20(17-24)23-15-21(18-8-3-1-4-9-18)14-22(16-23)19-10-5-2-6-11-19;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;8-6-3-1-2-5(4-6)7(9)10;1-2-4-6-5-3-1;1-2-4-5-3-1;4-1-7-2(5)9-3(6)8-1;;/h1-26H;1-22H;1-17H;1-8H3;1-5H;1-4,9-10H;1-5H;1-4H2;;1H;/q;;;;;;-1;;;;+2/p-1
InChIKeyHMFHOKNYIXXGBB-UHFFFAOYSA-M
XLogP32.69
TPSA241.29 Ų
H-Bond Donors2
H-Bond Acceptors19
Rotatable Bonds17
Heavy Atoms169
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002527.65
LogP ≤ 532.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

2-[4-(2-Bromo-5-chlorophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[5-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;oxolane
CID 159304628
2-(3-Bromo-5-chlorophenyl)-4,6-diphenyl-1,3,5-triazine;2-[3-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,6-diphenyl-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 159995804
2-(3-Bromo-5-chlorophenyl)-4,6-diphenyl-1,3,5-triazine;phenanthren-9-ylboronic acid;2-[3-phenanthren-9-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,6-diphenyl-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 160654464
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
2-(3-Bromophenyl)-4,6-diphenyl-1,3,5-triazine;(4-chloronaphthalen-1-yl)boronic acid;2-[3-(4-chloronaphthalen-1-yl)phenyl]-4,6-diphenyl-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 161980284
1,3-Bis(4-bromophenyl)adamantane;2-chloro-4,6-diphenyl-1,3,5-triazine;(4-chlorophenyl)boronic acid;2-(4-chlorophenyl)-4,6-diphenyl-1,3,5-triazine;deuterio(fluoro)methane;2,4-diphenyl-6-[4-(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 165014477

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Brc1cccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)c1.C1CCOC1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.Clc1cccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c3)n2)c1.Clc1nc(-c2ccccc2)nc(-c2cccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2)n1.Clc1nc(Cl)nc(-c2ccccc2)n1.Clc1nc(Cl)nc(Cl)n1.OB(O)c1cccc(Cl)c1.[Br-].[Mg+2].[c-]1ccccc1.
What is the InChIKey of 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?
The InChIKey is HMFHOKNYIXXGBB-UHFFFAOYSA-M. The full InChI is InChI=1S/C39H26ClN3.C33H22ClN3.C24H17Br.C12H24B2O4.C9H5Cl2N3.C6H6BClO2.C6H5.C4H8O.C3Cl3N3.BrH.Mg/c40-36-21-11-20-32(26-36)39-42-37(29-16-8-3-9-17-29)41-38(43-39)31-19-10-18-30(22-31)35-24-33(27-12-4-1-5-13-27)23-34(25-35)28-14-6-2-7-15-28;34-33-36-31(25-15-8-3-9-16-25)35-32(37-33)27-18-10-17-26(19-27)30-21-28(23-11-4-1-5-12-23)20-29(22-30)24-13-6-2-7-14-24;25-24-13-7-12-20(17-24)23-15-21(18-8-3-1-4-9-18)14-22(16-23)19-10-5-2-6-11-19;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;8-6-3-1-2-5(4-6)7(9)10;1-2-4-6-5-3-1;1-2-4-5-3-1;4-1-7-2(5)9-3(6)8-1;;/h1-26H;1-22H;1-17H;1-8H3;1-5H;1-4,9-10H;1-5H;1-4H2;;1H;/q;;;;;;-1;;;;+2/p-1.
What are the key properties of 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?
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 has a molecular weight of 2527.65 g/mol, XLogP of 32.69, 17 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160700754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).