1-bromo-2-methylpropane;3-bromo-1-(2-methylpropyl)-5-(3-phenylphenyl)-1,2,4-triazole;3,5-dibromo-1-(2-methylpropyl)-1,2,4-triazole;3,5-dibromo-1H-1,2,4-triazole;(3,5-dimethylphenyl)boronic acid;3-(3,5-dimethylphenyl)-1-(2-methylpropyl)-5-(3-phenylphenyl)-1,2,4-triazole;(3-phenylphenyl)boronic acid

C76H86B2Br6N12O4 — CID 159262715

IUPAC1-bromo-2-methylpropane;3-bromo-1-(2-methylpropyl)-5-(3-phenylphenyl)-1,2,4-triazole;3,5-dibromo-1-(2-methylpropyl)-1,2,4-triazole;3,5-dibromo-1H-1,2,4-triazole;(3,5-dimethylphenyl)boronic acid;3-(3,5-dimethylphenyl)-1-(2-methylpropyl)-5-(3-phenylphenyl)-1,2,4-triazole;(3-phenylphenyl)boronic acid
SMILESBrc1n[nH]c(Br)n1.CC(C)CBr.CC(C)Cn1nc(Br)nc1-c1cccc(-c2ccccc2)c1.CC(C)Cn1nc(Br)nc1Br.Cc1cc(C)cc(-c2nc(-c3cccc(-c4ccccc4)c3)n(CC(C)C)n2)c1.Cc1cc(C)cc(B(O)O)c1.OB(O)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C26H27N3.C18H18BrN3.C12H11BO2.C8H11BO2.C6H9Br2N3.C4H9Br.C2HBr2N3/c1-18(2)17-29-26(27-25(28-29)24-14-19(3)13-20(4)15-24)23-12-8-11-22(16-23)21-9-6-5-7-10-21;1-13(2)12-22-17(20-18(19)21-22)16-10-6-9-15(11-16)14-7-4-3-5-8-14;14-13(15)12-8-4-7-11(9-12)10-5-2-1-3-6-10;1-6-3-7(2)5-8(4-6)9(10)11;1-4(2)3-11-6(8)9-5(7)10-11;1-4(2)3-5;3-1-5-2(4)7-6-1/h5-16,18H,17H2,1-4H3;3-11,13H,12H2,1-2H3;1-9,14-15H;3-5,10-11H,1-2H3;4H,3H2,1-2H3;4H,3H2,1-2H3;(H,5,6,7)
InChIKeyKWSCTCXDLKZZPQ-UHFFFAOYSA-N
MW1732.65 g/mol
LogP18.43
Rot. Bonds15

About 1-bromo-2-methylpropane;3-bromo-1-(2-methylpropyl)-5-(3-phenylphenyl)-1,2,4-triazole;3,5-dibromo-1-(2-methylpropyl)-1,2,4-triazole;3,5-dibromo-1H-1,2,4-triazole;(3,5-dimethylphenyl)boronic acid;3-(3,5-dimethylphenyl)-1-(2-methylpropyl)-5-(3-phenylphenyl)-1,2,4-triazole;(3-phenylphenyl)boronic acid

1-bromo-2-methylpropane;3-bromo-1-(2-methylpropyl)-5-(3-phenylphenyl)-1,2,4-triazole;3,5-dibromo-1-(2-methylpropyl)-1,2,4-triazole;3,5-dibromo-1H-1,2,4-triazole;(3,5-dimethylphenyl)boronic acid;3-(3,5-dimethylphenyl)-1-(2-methylpropyl)-5-(3-phenylphenyl)-1,2,4-triazole;(3-phenylphenyl)boronic acid (PubChem CID 159262715) has the molecular formula C76H86B2Br6N12O4 and a molecular weight of 1732.65 g/mol. Its IUPAC name is 1-bromo-2-methylpropane;3-bromo-1-(2-methylpropyl)-5-(3-phenylphenyl)-1,2,4-triazole;3,5-dibromo-1-(2-methylpropyl)-1,2,4-triazole;3,5-dibromo-1H-1,2,4-triazole;(3,5-dimethylphenyl)boronic acid;3-(3,5-dimethylphenyl)-1-(2-methylpropyl)-5-(3-phenylphenyl)-1,2,4-triazole;(3-phenylphenyl)boronic acid.

Molecular Properties

Compound Name1-bromo-2-methylpropane;3-bromo-1-(2-methylpropyl)-5-(3-phenylphenyl)-1,2,4-triazole;3,5-dibromo-1-(2-methylpropyl)-1,2,4-triazole;3,5-dibromo-1H-1,2,4-triazole;(3,5-dimethylphenyl)boronic acid;3-(3,5-dimethylphenyl)-1-(2-methylpropyl)-5-(3-phenylphenyl)-1,2,4-triazole;(3-phenylphenyl)boronic acid
PubChem CID159262715
Molecular FormulaC76H86B2Br6N12O4
Molecular Weight1732.65 g/mol
Exact Mass1726.22
IUPAC Name1-bromo-2-methylpropane;3-bromo-1-(2-methylpropyl)-5-(3-phenylphenyl)-1,2,4-triazole;3,5-dibromo-1-(2-methylpropyl)-1,2,4-triazole;3,5-dibromo-1H-1,2,4-triazole;(3,5-dimethylphenyl)boronic acid;3-(3,5-dimethylphenyl)-1-(2-methylpropyl)-5-(3-phenylphenyl)-1,2,4-triazole;(3-phenylphenyl)boronic acid
SMILESBrc1n[nH]c(Br)n1.CC(C)CBr.CC(C)Cn1nc(Br)nc1-c1cccc(-c2ccccc2)c1.CC(C)Cn1nc(Br)nc1Br.Cc1cc(C)cc(-c2nc(-c3cccc(-c4ccccc4)c3)n(CC(C)C)n2)c1.Cc1cc(C)cc(B(O)O)c1.OB(O)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C26H27N3.C18H18BrN3.C12H11BO2.C8H11BO2.C6H9Br2N3.C4H9Br.C2HBr2N3/c1-18(2)17-29-26(27-25(28-29)24-14-19(3)13-20(4)15-24)23-12-8-11-22(16-23)21-9-6-5-7-10-21;1-13(2)12-22-17(20-18(19)21-22)16-10-6-9-15(11-16)14-7-4-3-5-8-14;14-13(15)12-8-4-7-11(9-12)10-5-2-1-3-6-10;1-6-3-7(2)5-8(4-6)9(10)11;1-4(2)3-11-6(8)9-5(7)10-11;1-4(2)3-5;3-1-5-2(4)7-6-1/h5-16,18H,17H2,1-4H3;3-11,13H,12H2,1-2H3;1-9,14-15H;3-5,10-11H,1-2H3;4H,3H2,1-2H3;4H,3H2,1-2H3;(H,5,6,7)
InChIKeyKWSCTCXDLKZZPQ-UHFFFAOYSA-N
XLogP18.43
TPSA214.62 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds15
Heavy Atoms100
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001732.65
LogP ≤ 518.43
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 1-bromo-2-methylpropane;3-bromo-1-(2-methylpropyl)-5-(3-phenylphenyl)-1,2,4-triazole;3,5-dibromo-1-(2-methylpropyl)-1,2,4-triazole;3,5-dibromo-1H-1,2,4-triazole;(3,5-dimethylphenyl)boronic acid;3-(3,5-dimethylphenyl)-1-(2-methylpropyl)-5-(3-phenylphenyl)-1,2,4-triazole;(3-phenylphenyl)boronic acid 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

3-bromo-1-(2-methylpropyl)-5-(3-phenylphenyl)-1,2,4-triazole
CID 129142739
ethane;[3-(3-phenylphenyl)phenyl]boronic acid
CID 143904580
[3-(4-phenylphenyl)phenyl]boronic acid
CID 71235180
5-bromo-3-(3-methylphenyl)-1H-1,2,4-triazole
CID 51072233
1-bromo-3-methyl-5-phenylbenzene;1,3-dibromo-5-methylbenzene;phenylboronic acid
CID 159242843
1-(3-methylphenyl)-5-phenyl-3-(3-phenylphenyl)-1,2,4-triazole
CID 130289066
1,3-dimethyl-5-[3-[3-[3-(3-methylphenyl)-5-phenylphenyl]phenyl]-5-phenylphenyl]benzene
CID 59552812
ethane;1-methyl-3-(3-phenylphenyl)benzene
CID 163289488
[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]boronic acid
CID 156900613
4-chloro-2-phenyl-6-(3-phenylphenyl)pyrimidine;4,6-dichloro-2-phenylpyrimidine;(3-phenylphenyl)boronic acid
CID 163457362
3-bromo-1-methyl-5-(3-methylphenyl)-1,2,4-triazole
CID 84707601
1,3-dimethyl-5-(3-phenylphenyl)benzene;sulfane
CID 174481520

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-methylpropane;3-bromo-1-(2-methylpropyl)-5-(3-phenylphenyl)-1,2,4-triazole;3,5-dibromo-1-(2-methylpropyl)-1,2,4-triazole;3,5-dibromo-1H-1,2,4-triazole;(3,5-dimethylphenyl)boronic acid;3-(3,5-dimethylphenyl)-1-(2-methylpropyl)-5-(3-phenylphenyl)-1,2,4-triazole;(3-phenylphenyl)boronic acid?
The IUPAC name of 1-bromo-2-methylpropane;3-bromo-1-(2-methylpropyl)-5-(3-phenylphenyl)-1,2,4-triazole;3,5-dibromo-1-(2-methylpropyl)-1,2,4-triazole;3,5-dibromo-1H-1,2,4-triazole;(3,5-dimethylphenyl)boronic acid;3-(3,5-dimethylphenyl)-1-(2-methylpropyl)-5-(3-phenylphenyl)-1,2,4-triazole;(3-phenylphenyl)boronic acid (CID 159262715) is 1-bromo-2-methylpropane;3-bromo-1-(2-methylpropyl)-5-(3-phenylphenyl)-1,2,4-triazole;3,5-dibromo-1-(2-methylpropyl)-1,2,4-triazole;3,5-dibromo-1H-1,2,4-triazole;(3,5-dimethylphenyl)boronic acid;3-(3,5-dimethylphenyl)-1-(2-methylpropyl)-5-(3-phenylphenyl)-1,2,4-triazole;(3-phenylphenyl)boronic acid.
What is the SMILES notation for 1-bromo-2-methylpropane;3-bromo-1-(2-methylpropyl)-5-(3-phenylphenyl)-1,2,4-triazole;3,5-dibromo-1-(2-methylpropyl)-1,2,4-triazole;3,5-dibromo-1H-1,2,4-triazole;(3,5-dimethylphenyl)boronic acid;3-(3,5-dimethylphenyl)-1-(2-methylpropyl)-5-(3-phenylphenyl)-1,2,4-triazole;(3-phenylphenyl)boronic acid?
The canonical SMILES for 1-bromo-2-methylpropane;3-bromo-1-(2-methylpropyl)-5-(3-phenylphenyl)-1,2,4-triazole;3,5-dibromo-1-(2-methylpropyl)-1,2,4-triazole;3,5-dibromo-1H-1,2,4-triazole;(3,5-dimethylphenyl)boronic acid;3-(3,5-dimethylphenyl)-1-(2-methylpropyl)-5-(3-phenylphenyl)-1,2,4-triazole;(3-phenylphenyl)boronic acid is Brc1n[nH]c(Br)n1.CC(C)CBr.CC(C)Cn1nc(Br)nc1-c1cccc(-c2ccccc2)c1.CC(C)Cn1nc(Br)nc1Br.Cc1cc(C)cc(-c2nc(-c3cccc(-c4ccccc4)c3)n(CC(C)C)n2)c1.Cc1cc(C)cc(B(O)O)c1.OB(O)c1cccc(-c2ccccc2)c1.
What is the InChIKey of 1-bromo-2-methylpropane;3-bromo-1-(2-methylpropyl)-5-(3-phenylphenyl)-1,2,4-triazole;3,5-dibromo-1-(2-methylpropyl)-1,2,4-triazole;3,5-dibromo-1H-1,2,4-triazole;(3,5-dimethylphenyl)boronic acid;3-(3,5-dimethylphenyl)-1-(2-methylpropyl)-5-(3-phenylphenyl)-1,2,4-triazole;(3-phenylphenyl)boronic acid?
The InChIKey is KWSCTCXDLKZZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3.C18H18BrN3.C12H11BO2.C8H11BO2.C6H9Br2N3.C4H9Br.C2HBr2N3/c1-18(2)17-29-26(27-25(28-29)24-14-19(3)13-20(4)15-24)23-12-8-11-22(16-23)21-9-6-5-7-10-21;1-13(2)12-22-17(20-18(19)21-22)16-10-6-9-15(11-16)14-7-4-3-5-8-14;14-13(15)12-8-4-7-11(9-12)10-5-2-1-3-6-10;1-6-3-7(2)5-8(4-6)9(10)11;1-4(2)3-11-6(8)9-5(7)10-11;1-4(2)3-5;3-1-5-2(4)7-6-1/h5-16,18H,17H2,1-4H3;3-11,13H,12H2,1-2H3;1-9,14-15H;3-5,10-11H,1-2H3;4H,3H2,1-2H3;4H,3H2,1-2H3;(H,5,6,7).
What are the key properties of 1-bromo-2-methylpropane;3-bromo-1-(2-methylpropyl)-5-(3-phenylphenyl)-1,2,4-triazole;3,5-dibromo-1-(2-methylpropyl)-1,2,4-triazole;3,5-dibromo-1H-1,2,4-triazole;(3,5-dimethylphenyl)boronic acid;3-(3,5-dimethylphenyl)-1-(2-methylpropyl)-5-(3-phenylphenyl)-1,2,4-triazole;(3-phenylphenyl)boronic acid?
1-bromo-2-methylpropane;3-bromo-1-(2-methylpropyl)-5-(3-phenylphenyl)-1,2,4-triazole;3,5-dibromo-1-(2-methylpropyl)-1,2,4-triazole;3,5-dibromo-1H-1,2,4-triazole;(3,5-dimethylphenyl)boronic acid;3-(3,5-dimethylphenyl)-1-(2-methylpropyl)-5-(3-phenylphenyl)-1,2,4-triazole;(3-phenylphenyl)boronic acid has a molecular weight of 1732.65 g/mol, XLogP of 18.43, 15 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-methylpropane;3-bromo-1-(2-methylpropyl)-5-(3-phenylphenyl)-1,2,4-triazole;3,5-dibromo-1-(2-methylpropyl)-1,2,4-triazole;3,5-dibromo-1H-1,2,4-triazole;(3,5-dimethylphenyl)boronic acid;3-(3,5-dimethylphenyl)-1-(2-methylpropyl)-5-(3-phenylphenyl)-1,2,4-triazole;(3-phenylphenyl)boronic acid is sourced from PubChem (CID 159262715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).