1,3-dimethyl-5-(2,3,4,5-tetramethylphenyl)-1,2,4-triazole;1,5-dimethyl-3-(2,3,4,5-tetramethylphenyl)-1,2,4-triazole;1,4,5,6,7,8-hexamethyl-3-(2,3,4,5-tetramethylphenyl)isoquinoline;3,4,5,6,7,8-hexamethyl-1-(2,3,4,5-tetramethylphenyl)isoquinoline;3,4,5,6,7,8-hexamethyl-2-(2,3,4,5-tetramethylphenyl)quinoline;2-(methyliminomethyl)phenol;1H-pyrazol-2-ium-2-yl-tri(pyrazol-1-yl)boranuide;2,3,4,5-tetramethyl-6-(2,3,4,5-tetramethylphenyl)pyridine;1,2,5-trimethyl-4-(2,3,4,5-tetramethylphenyl)imidazole;1,4,5-trimethyl-2-(2,3,4,5-tetramethylphenyl)imidazole

C174H222BN23O — CID 157217474

About 1,3-dimethyl-5-(2,3,4,5-tetramethylphenyl)-1,2,4-triazole;1,5-dimethyl-3-(2,3,4,5-tetramethylphenyl)-1,2,4-triazole;1,4,5,6,7,8-hexamethyl-3-(2,3,4,5-tetramethylphenyl)isoquinoline;3,4,5,6,7,8-hexamethyl-1-(2,3,4,5-tetramethylphenyl)isoquinoline;3,4,5,6,7,8-hexamethyl-2-(2,3,4,5-tetramethylphenyl)quinoline;2-(methyliminomethyl)phenol;1H-pyrazol-2-ium-2-yl-tri(pyrazol-1-yl)boranuide;2,3,4,5-tetramethyl-6-(2,3,4,5-tetramethylphenyl)pyridine;1,2,5-trimethyl-4-(2,3,4,5-tetramethylphenyl)imidazole;1,4,5-trimethyl-2-(2,3,4,5-tetramethylphenyl)imidazole

1,3-dimethyl-5-(2,3,4,5-tetramethylphenyl)-1,2,4-triazole;1,5-dimethyl-3-(2,3,4,5-tetramethylphenyl)-1,2,4-triazole;1,4,5,6,7,8-hexamethyl-3-(2,3,4,5-tetramethylphenyl)isoquinoline;3,4,5,6,7,8-hexamethyl-1-(2,3,4,5-tetramethylphenyl)isoquinoline;3,4,5,6,7,8-hexamethyl-2-(2,3,4,5-tetramethylphenyl)quinoline;2-(methyliminomethyl)phenol;1H-pyrazol-2-ium-2-yl-tri(pyrazol-1-yl)boranuide;2,3,4,5-tetramethyl-6-(2,3,4,5-tetramethylphenyl)pyridine;1,2,5-trimethyl-4-(2,3,4,5-tetramethylphenyl)imidazole;1,4,5-trimethyl-2-(2,3,4,5-tetramethylphenyl)imidazole (PubChem CID 157217474) has the molecular formula C174H222BN23O and a molecular weight of 2662.66 g/mol. Its IUPAC name is 1,3-dimethyl-5-(2,3,4,5-tetramethylphenyl)-1,2,4-triazole;1,5-dimethyl-3-(2,3,4,5-tetramethylphenyl)-1,2,4-triazole;1,4,5,6,7,8-hexamethyl-3-(2,3,4,5-tetramethylphenyl)isoquinoline;3,4,5,6,7,8-hexamethyl-1-(2,3,4,5-tetramethylphenyl)isoquinoline;3,4,5,6,7,8-hexamethyl-2-(2,3,4,5-tetramethylphenyl)quinoline;2-(methyliminomethyl)phenol;1H-pyrazol-2-ium-2-yl-tri(pyrazol-1-yl)boranuide;2,3,4,5-tetramethyl-6-(2,3,4,5-tetramethylphenyl)pyridine;1,2,5-trimethyl-4-(2,3,4,5-tetramethylphenyl)imidazole;1,4,5-trimethyl-2-(2,3,4,5-tetramethylphenyl)imidazole.

Molecular Properties

• Compound Name: 1,3-dimethyl-5-(2,3,4,5-tetramethylphenyl)-1,2,4-triazole;1,5-dimethyl-3-(2,3,4,5-tetramethylphenyl)-1,2,4-triazole;1,4,5,6,7,8-hexamethyl-3-(2,3,4,5-tetramethylphenyl)isoquinoline;3,4,5,6,7,8-hexamethyl-1-(2,3,4,5-tetramethylphenyl)isoquinoline;3,4,5,6,7,8-hexamethyl-2-(2,3,4,5-tetramethylphenyl)quinoline;2-(methyliminomethyl)phenol;1H-pyrazol-2-ium-2-yl-tri(pyrazol-1-yl)boranuide;2,3,4,5-tetramethyl-6-(2,3,4,5-tetramethylphenyl)pyridine;1,2,5-trimethyl-4-(2,3,4,5-tetramethylphenyl)imidazole;1,4,5-trimethyl-2-(2,3,4,5-tetramethylphenyl)imidazole
• PubChem CID: 157217474
• Molecular Formula: C174H222BN23O
• Molecular Weight: 2662.66 g/mol
• Exact Mass: 2660.81
• IUPAC Name: 1,3-dimethyl-5-(2,3,4,5-tetramethylphenyl)-1,2,4-triazole;1,5-dimethyl-3-(2,3,4,5-tetramethylphenyl)-1,2,4-triazole;1,4,5,6,7,8-hexamethyl-3-(2,3,4,5-tetramethylphenyl)isoquinoline;3,4,5,6,7,8-hexamethyl-1-(2,3,4,5-tetramethylphenyl)isoquinoline;3,4,5,6,7,8-hexamethyl-2-(2,3,4,5-tetramethylphenyl)quinoline;2-(methyliminomethyl)phenol;1H-pyrazol-2-ium-2-yl-tri(pyrazol-1-yl)boranuide;2,3,4,5-tetramethyl-6-(2,3,4,5-tetramethylphenyl)pyridine;1,2,5-trimethyl-4-(2,3,4,5-tetramethylphenyl)imidazole;1,4,5-trimethyl-2-(2,3,4,5-tetramethylphenyl)imidazole
• SMILES: C/N=C/c1ccccc1O.Cc1cc(-c2nc(C)c(C)c(C)c2C)c(C)c(C)c1C.Cc1cc(-c2nc(C)c(C)c3c(C)c(C)c(C)c(C)c23)c(C)c(C)c1C.Cc1cc(-c2nc(C)c(C)n2C)c(C)c(C)c1C.Cc1cc(-c2nc(C)c3c(C)c(C)c(C)c(C)c3c2C)c(C)c(C)c1C.Cc1cc(-c2nc(C)n(C)c2C)c(C)c(C)c1C.Cc1cc(-c2nc(C)n(C)n2)c(C)c(C)c1C.Cc1cc(-c2nc3c(C)c(C)c(C)c(C)c3c(C)c2C)c(C)c(C)c1C.Cc1nc(-c2cc(C)c(C)c(C)c2C)n(C)n1.c1cnn([B-](n2cccn2)(n2cccn2)[n+]2ccc[nH]2)c1
• InChI: InChI=1S/3C25H31N.C19H25N.2C16H22N2.2C14H19N3.C12H13BN8.C8H9NO/c1-12-11-22(17(6)14(3)13(12)2)24-21(10)19(8)23-18(7)15(4)16(5)20(9)25(23)26-24;1-12-11-22(17(6)14(3)13(12)2)25-20(9)23-18(7)15(4)16(5)19(8)24(23)21(10)26-25;1-12-11-22(17(6)14(3)13(12)2)25-24-19(8)16(5)15(4)18(7)23(24)20(9)21(10)26-25;1-10-9-18(15(6)12(3)11(10)2)19-16(7)13(4)14(5)17(8)20-19;1-9-8-15(12(4)11(3)10(9)2)16-13(5)18(7)14(6)17-16;1-9-8-15(12(4)11(3)10(9)2)16-17-13(5)14(6)18(16)7;1-8-7-13(11(4)10(3)9(8)2)14-15-12(5)17(6)16-14;1-8-7-13(11(4)10(3)9(8)2)14-15-12(5)16-17(14)6;1-5-14-18(9-1)13(19-10-2-6-15-19,20-11-3-7-16-20)21-12-4-8-17-21;1-9-6-7-4-2-3-5-8(7)10/h3*11H,1-10H3;9H,1-8H3;2*8H,1-7H3;2*7H,1-6H3;1-12,14H;2-6,10H,1H3/b;;;;;;;;;9-6+
• InChIKey: ASOXPIPGXJACJW-PDXCVIOWSA-N
• XLogP: 41.36
• TPSA: 254.34 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 22
• Rotatable Bonds: 13
• Heavy Atoms: 199
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2662.66
LogP ≤ 5	41.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-(2,3,4,5-tetramethylphenyl)-1,2,4-triazole;1,5-dimethyl-3-(2,3,4,5-tetramethylphenyl)-1,2,4-triazole;1,4,5,6,7,8-hexamethyl-3-(2,3,4,5-tetramethylphenyl)isoquinoline;3,4,5,6,7,8-hexamethyl-1-(2,3,4,5-tetramethylphenyl)isoquinoline;3,4,5,6,7,8-hexamethyl-2-(2,3,4,5-tetramethylphenyl)quinoline;2-(methyliminomethyl)phenol;1H-pyrazol-2-ium-2-yl-tri(pyrazol-1-yl)boranuide;2,3,4,5-tetramethyl-6-(2,3,4,5-tetramethylphenyl)pyridine;1,2,5-trimethyl-4-(2,3,4,5-tetramethylphenyl)imidazole;1,4,5-trimethyl-2-(2,3,4,5-tetramethylphenyl)imidazole?

The IUPAC name of 1,3-dimethyl-5-(2,3,4,5-tetramethylphenyl)-1,2,4-triazole;1,5-dimethyl-3-(2,3,4,5-tetramethylphenyl)-1,2,4-triazole;1,4,5,6,7,8-hexamethyl-3-(2,3,4,5-tetramethylphenyl)isoquinoline;3,4,5,6,7,8-hexamethyl-1-(2,3,4,5-tetramethylphenyl)isoquinoline;3,4,5,6,7,8-hexamethyl-2-(2,3,4,5-tetramethylphenyl)quinoline;2-(methyliminomethyl)phenol;1H-pyrazol-2-ium-2-yl-tri(pyrazol-1-yl)boranuide;2,3,4,5-tetramethyl-6-(2,3,4,5-tetramethylphenyl)pyridine;1,2,5-trimethyl-4-(2,3,4,5-tetramethylphenyl)imidazole;1,4,5-trimethyl-2-(2,3,4,5-tetramethylphenyl)imidazole (CID 157217474) is 1,3-dimethyl-5-(2,3,4,5-tetramethylphenyl)-1,2,4-triazole;1,5-dimethyl-3-(2,3,4,5-tetramethylphenyl)-1,2,4-triazole;1,4,5,6,7,8-hexamethyl-3-(2,3,4,5-tetramethylphenyl)isoquinoline;3,4,5,6,7,8-hexamethyl-1-(2,3,4,5-tetramethylphenyl)isoquinoline;3,4,5,6,7,8-hexamethyl-2-(2,3,4,5-tetramethylphenyl)quinoline;2-(methyliminomethyl)phenol;1H-pyrazol-2-ium-2-yl-tri(pyrazol-1-yl)boranuide;2,3,4,5-tetramethyl-6-(2,3,4,5-tetramethylphenyl)pyridine;1,2,5-trimethyl-4-(2,3,4,5-tetramethylphenyl)imidazole;1,4,5-trimethyl-2-(2,3,4,5-tetramethylphenyl)imidazole.

What is the SMILES notation for 1,3-dimethyl-5-(2,3,4,5-tetramethylphenyl)-1,2,4-triazole;1,5-dimethyl-3-(2,3,4,5-tetramethylphenyl)-1,2,4-triazole;1,4,5,6,7,8-hexamethyl-3-(2,3,4,5-tetramethylphenyl)isoquinoline;3,4,5,6,7,8-hexamethyl-1-(2,3,4,5-tetramethylphenyl)isoquinoline;3,4,5,6,7,8-hexamethyl-2-(2,3,4,5-tetramethylphenyl)quinoline;2-(methyliminomethyl)phenol;1H-pyrazol-2-ium-2-yl-tri(pyrazol-1-yl)boranuide;2,3,4,5-tetramethyl-6-(2,3,4,5-tetramethylphenyl)pyridine;1,2,5-trimethyl-4-(2,3,4,5-tetramethylphenyl)imidazole;1,4,5-trimethyl-2-(2,3,4,5-tetramethylphenyl)imidazole?

The canonical SMILES for 1,3-dimethyl-5-(2,3,4,5-tetramethylphenyl)-1,2,4-triazole;1,5-dimethyl-3-(2,3,4,5-tetramethylphenyl)-1,2,4-triazole;1,4,5,6,7,8-hexamethyl-3-(2,3,4,5-tetramethylphenyl)isoquinoline;3,4,5,6,7,8-hexamethyl-1-(2,3,4,5-tetramethylphenyl)isoquinoline;3,4,5,6,7,8-hexamethyl-2-(2,3,4,5-tetramethylphenyl)quinoline;2-(methyliminomethyl)phenol;1H-pyrazol-2-ium-2-yl-tri(pyrazol-1-yl)boranuide;2,3,4,5-tetramethyl-6-(2,3,4,5-tetramethylphenyl)pyridine;1,2,5-trimethyl-4-(2,3,4,5-tetramethylphenyl)imidazole;1,4,5-trimethyl-2-(2,3,4,5-tetramethylphenyl)imidazole is C/N=C/c1ccccc1O.Cc1cc(-c2nc(C)c(C)c(C)c2C)c(C)c(C)c1C.Cc1cc(-c2nc(C)c(C)c3c(C)c(C)c(C)c(C)c23)c(C)c(C)c1C.Cc1cc(-c2nc(C)c(C)n2C)c(C)c(C)c1C.Cc1cc(-c2nc(C)c3c(C)c(C)c(C)c(C)c3c2C)c(C)c(C)c1C.Cc1cc(-c2nc(C)n(C)c2C)c(C)c(C)c1C.Cc1cc(-c2nc(C)n(C)n2)c(C)c(C)c1C.Cc1cc(-c2nc3c(C)c(C)c(C)c(C)c3c(C)c2C)c(C)c(C)c1C.Cc1nc(-c2cc(C)c(C)c(C)c2C)n(C)n1.c1cnn([B-](n2cccn2)(n2cccn2)[n+]2ccc[nH]2)c1.

What is the InChIKey of 1,3-dimethyl-5-(2,3,4,5-tetramethylphenyl)-1,2,4-triazole;1,5-dimethyl-3-(2,3,4,5-tetramethylphenyl)-1,2,4-triazole;1,4,5,6,7,8-hexamethyl-3-(2,3,4,5-tetramethylphenyl)isoquinoline;3,4,5,6,7,8-hexamethyl-1-(2,3,4,5-tetramethylphenyl)isoquinoline;3,4,5,6,7,8-hexamethyl-2-(2,3,4,5-tetramethylphenyl)quinoline;2-(methyliminomethyl)phenol;1H-pyrazol-2-ium-2-yl-tri(pyrazol-1-yl)boranuide;2,3,4,5-tetramethyl-6-(2,3,4,5-tetramethylphenyl)pyridine;1,2,5-trimethyl-4-(2,3,4,5-tetramethylphenyl)imidazole;1,4,5-trimethyl-2-(2,3,4,5-tetramethylphenyl)imidazole?

The InChIKey is ASOXPIPGXJACJW-PDXCVIOWSA-N. The full InChI is InChI=1S/3C25H31N.C19H25N.2C16H22N2.2C14H19N3.C12H13BN8.C8H9NO/c1-12-11-22(17(6)14(3)13(12)2)24-21(10)19(8)23-18(7)15(4)16(5)20(9)25(23)26-24;1-12-11-22(17(6)14(3)13(12)2)25-20(9)23-18(7)15(4)16(5)19(8)24(23)21(10)26-25;1-12-11-22(17(6)14(3)13(12)2)25-24-19(8)16(5)15(4)18(7)23(24)20(9)21(10)26-25;1-10-9-18(15(6)12(3)11(10)2)19-16(7)13(4)14(5)17(8)20-19;1-9-8-15(12(4)11(3)10(9)2)16-13(5)18(7)14(6)17-16;1-9-8-15(12(4)11(3)10(9)2)16-17-13(5)14(6)18(16)7;1-8-7-13(11(4)10(3)9(8)2)14-15-12(5)17(6)16-14;1-8-7-13(11(4)10(3)9(8)2)14-15-12(5)16-17(14)6;1-5-14-18(9-1)13(19-10-2-6-15-19,20-11-3-7-16-20)21-12-4-8-17-21;1-9-6-7-4-2-3-5-8(7)10/h3*11H,1-10H3;9H,1-8H3;2*8H,1-7H3;2*7H,1-6H3;1-12,14H;2-6,10H,1H3/b;;;;;;;;;9-6+.

What are the key properties of 1,3-dimethyl-5-(2,3,4,5-tetramethylphenyl)-1,2,4-triazole;1,5-dimethyl-3-(2,3,4,5-tetramethylphenyl)-1,2,4-triazole;1,4,5,6,7,8-hexamethyl-3-(2,3,4,5-tetramethylphenyl)isoquinoline;3,4,5,6,7,8-hexamethyl-1-(2,3,4,5-tetramethylphenyl)isoquinoline;3,4,5,6,7,8-hexamethyl-2-(2,3,4,5-tetramethylphenyl)quinoline;2-(methyliminomethyl)phenol;1H-pyrazol-2-ium-2-yl-tri(pyrazol-1-yl)boranuide;2,3,4,5-tetramethyl-6-(2,3,4,5-tetramethylphenyl)pyridine;1,2,5-trimethyl-4-(2,3,4,5-tetramethylphenyl)imidazole;1,4,5-trimethyl-2-(2,3,4,5-tetramethylphenyl)imidazole?

1,3-dimethyl-5-(2,3,4,5-tetramethylphenyl)-1,2,4-triazole;1,5-dimethyl-3-(2,3,4,5-tetramethylphenyl)-1,2,4-triazole;1,4,5,6,7,8-hexamethyl-3-(2,3,4,5-tetramethylphenyl)isoquinoline;3,4,5,6,7,8-hexamethyl-1-(2,3,4,5-tetramethylphenyl)isoquinoline;3,4,5,6,7,8-hexamethyl-2-(2,3,4,5-tetramethylphenyl)quinoline;2-(methyliminomethyl)phenol;1H-pyrazol-2-ium-2-yl-tri(pyrazol-1-yl)boranuide;2,3,4,5-tetramethyl-6-(2,3,4,5-tetramethylphenyl)pyridine;1,2,5-trimethyl-4-(2,3,4,5-tetramethylphenyl)imidazole;1,4,5-trimethyl-2-(2,3,4,5-tetramethylphenyl)imidazole has a molecular weight of 2662.66 g/mol, XLogP of 41.36, 13 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-dimethyl-5-(2,3,4,5-tetramethylphenyl)-1,2,4-triazole;1,5-dimethyl-3-(2,3,4,5-tetramethylphenyl)-1,2,4-triazole;1,4,5,6,7,8-hexamethyl-3-(2,3,4,5-tetramethylphenyl)isoquinoline;3,4,5,6,7,8-hexamethyl-1-(2,3,4,5-tetramethylphenyl)isoquinoline;3,4,5,6,7,8-hexamethyl-2-(2,3,4,5-tetramethylphenyl)quinoline;2-(methyliminomethyl)phenol;1H-pyrazol-2-ium-2-yl-tri(pyrazol-1-yl)boranuide;2,3,4,5-tetramethyl-6-(2,3,4,5-tetramethylphenyl)pyridine;1,2,5-trimethyl-4-(2,3,4,5-tetramethylphenyl)imidazole;1,4,5-trimethyl-2-(2,3,4,5-tetramethylphenyl)imidazole is sourced from PubChem (CID 157217474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).