2-(3-methylphenyl)-1,3-benzothiazole;2-(4-methylphenyl)-1,3-benzothiazole;2-(3-methylphenyl)-1,3-benzoxazole;2-(4-methylphenyl)-1,3-benzoxazole;2-(3-methylphenyl)dibenzofuran;2-(3-methylphenyl)dibenzothiophene;2-(3-methylphenyl)-3-phenyl-1H-benzimidazol-3-ium;2-(3-methylphenyl)-3-(4-phenylphenyl)-1H-benzimidazol-3-ium;(3-methylphenyl)-triphenylsilane;(4-methylphenyl)-triphenylsilane;methyl(triphenyl)silane

C209H172N8O3S3Si3+2 — CID 159313294

About 2-(3-methylphenyl)-1,3-benzothiazole;2-(4-methylphenyl)-1,3-benzothiazole;2-(3-methylphenyl)-1,3-benzoxazole;2-(4-methylphenyl)-1,3-benzoxazole;2-(3-methylphenyl)dibenzofuran;2-(3-methylphenyl)dibenzothiophene;2-(3-methylphenyl)-3-phenyl-1H-benzimidazol-3-ium;2-(3-methylphenyl)-3-(4-phenylphenyl)-1H-benzimidazol-3-ium;(3-methylphenyl)-triphenylsilane;(4-methylphenyl)-triphenylsilane;methyl(triphenyl)silane

2-(3-methylphenyl)-1,3-benzothiazole;2-(4-methylphenyl)-1,3-benzothiazole;2-(3-methylphenyl)-1,3-benzoxazole;2-(4-methylphenyl)-1,3-benzoxazole;2-(3-methylphenyl)dibenzofuran;2-(3-methylphenyl)dibenzothiophene;2-(3-methylphenyl)-3-phenyl-1H-benzimidazol-3-ium;2-(3-methylphenyl)-3-(4-phenylphenyl)-1H-benzimidazol-3-ium;(3-methylphenyl)-triphenylsilane;(4-methylphenyl)-triphenylsilane;methyl(triphenyl)silane (PubChem CID 159313294) has the molecular formula C209H172N8O3S3Si3+2 and a molecular weight of 3024.19 g/mol. Its IUPAC name is 2-(3-methylphenyl)-1,3-benzothiazole;2-(4-methylphenyl)-1,3-benzothiazole;2-(3-methylphenyl)-1,3-benzoxazole;2-(4-methylphenyl)-1,3-benzoxazole;2-(3-methylphenyl)dibenzofuran;2-(3-methylphenyl)dibenzothiophene;2-(3-methylphenyl)-3-phenyl-1H-benzimidazol-3-ium;2-(3-methylphenyl)-3-(4-phenylphenyl)-1H-benzimidazol-3-ium;(3-methylphenyl)-triphenylsilane;(4-methylphenyl)-triphenylsilane;methyl(triphenyl)silane.

Molecular Properties

• Compound Name: 2-(3-methylphenyl)-1,3-benzothiazole;2-(4-methylphenyl)-1,3-benzothiazole;2-(3-methylphenyl)-1,3-benzoxazole;2-(4-methylphenyl)-1,3-benzoxazole;2-(3-methylphenyl)dibenzofuran;2-(3-methylphenyl)dibenzothiophene;2-(3-methylphenyl)-3-phenyl-1H-benzimidazol-3-ium;2-(3-methylphenyl)-3-(4-phenylphenyl)-1H-benzimidazol-3-ium;(3-methylphenyl)-triphenylsilane;(4-methylphenyl)-triphenylsilane;methyl(triphenyl)silane
• PubChem CID: 159313294
• Molecular Formula: C209H172N8O3S3Si3+2
• Molecular Weight: 3024.19 g/mol
• Exact Mass: 3021.20
• IUPAC Name: 2-(3-methylphenyl)-1,3-benzothiazole;2-(4-methylphenyl)-1,3-benzothiazole;2-(3-methylphenyl)-1,3-benzoxazole;2-(4-methylphenyl)-1,3-benzoxazole;2-(3-methylphenyl)dibenzofuran;2-(3-methylphenyl)dibenzothiophene;2-(3-methylphenyl)-3-phenyl-1H-benzimidazol-3-ium;2-(3-methylphenyl)-3-(4-phenylphenyl)-1H-benzimidazol-3-ium;(3-methylphenyl)-triphenylsilane;(4-methylphenyl)-triphenylsilane;methyl(triphenyl)silane
• SMILES: C[Si](c1ccccc1)(c1ccccc1)c1ccccc1.Cc1ccc(-c2nc3ccccc3o2)cc1.Cc1ccc(-c2nc3ccccc3s2)cc1.Cc1ccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.Cc1cccc(-c2[nH]c3ccccc3[n+]2-c2ccc(-c3ccccc3)cc2)c1.Cc1cccc(-c2[nH]c3ccccc3[n+]2-c2ccccc2)c1.Cc1cccc(-c2ccc3oc4ccccc4c3c2)c1.Cc1cccc(-c2ccc3sc4ccccc4c3c2)c1.Cc1cccc(-c2nc3ccccc3o2)c1.Cc1cccc(-c2nc3ccccc3s2)c1.Cc1cccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1
• InChI: InChI=1S/C26H20N2.2C25H22Si.C20H16N2.C19H14O.C19H14S.C19H18Si.2C14H11NO.2C14H11NS/c1-19-8-7-11-22(18-19)26-27-24-12-5-6-13-25(24)28(26)23-16-14-21(15-17-23)20-9-3-2-4-10-20;1-21-12-11-19-25(20-21)26(22-13-5-2-6-14-22,23-15-7-3-8-16-23)24-17-9-4-10-18-24;1-21-17-19-25(20-18-21)26(22-11-5-2-6-12-22,23-13-7-3-8-14-23)24-15-9-4-10-16-24;1-15-8-7-9-16(14-15)20-21-18-12-5-6-13-19(18)22(20)17-10-3-2-4-11-17;2*1-13-5-4-6-14(11-13)15-9-10-19-17(12-15)16-7-2-3-8-18(16)20-19;1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;1-10-5-4-6-11(9-10)14-15-12-7-2-3-8-13(12)16-14;1-10-6-8-11(9-7-10)14-15-12-4-2-3-5-13(12)16-14;1-10-5-4-6-11(9-10)14-15-12-7-2-3-8-13(12)16-14;1-10-6-8-11(9-7-10)14-15-12-4-2-3-5-13(12)16-14/h2-18H,1H3;2*2-20H,1H3;2-14H,1H3;2*2-12H,1H3;2-16H,1H3;4*2-9H,1H3/p+2
• InChIKey: BFGLVXCUUGFWCP-UHFFFAOYSA-P
• XLogP: 47.78
• TPSA: 130.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 22
• Heavy Atoms: 226
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3024.19
LogP ≤ 5	47.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-1,3-benzothiazole;2-(4-methylphenyl)-1,3-benzothiazole;2-(3-methylphenyl)-1,3-benzoxazole;2-(4-methylphenyl)-1,3-benzoxazole;2-(3-methylphenyl)dibenzofuran;2-(3-methylphenyl)dibenzothiophene;2-(3-methylphenyl)-3-phenyl-1H-benzimidazol-3-ium;2-(3-methylphenyl)-3-(4-phenylphenyl)-1H-benzimidazol-3-ium;(3-methylphenyl)-triphenylsilane;(4-methylphenyl)-triphenylsilane;methyl(triphenyl)silane?

The IUPAC name of 2-(3-methylphenyl)-1,3-benzothiazole;2-(4-methylphenyl)-1,3-benzothiazole;2-(3-methylphenyl)-1,3-benzoxazole;2-(4-methylphenyl)-1,3-benzoxazole;2-(3-methylphenyl)dibenzofuran;2-(3-methylphenyl)dibenzothiophene;2-(3-methylphenyl)-3-phenyl-1H-benzimidazol-3-ium;2-(3-methylphenyl)-3-(4-phenylphenyl)-1H-benzimidazol-3-ium;(3-methylphenyl)-triphenylsilane;(4-methylphenyl)-triphenylsilane;methyl(triphenyl)silane (CID 159313294) is 2-(3-methylphenyl)-1,3-benzothiazole;2-(4-methylphenyl)-1,3-benzothiazole;2-(3-methylphenyl)-1,3-benzoxazole;2-(4-methylphenyl)-1,3-benzoxazole;2-(3-methylphenyl)dibenzofuran;2-(3-methylphenyl)dibenzothiophene;2-(3-methylphenyl)-3-phenyl-1H-benzimidazol-3-ium;2-(3-methylphenyl)-3-(4-phenylphenyl)-1H-benzimidazol-3-ium;(3-methylphenyl)-triphenylsilane;(4-methylphenyl)-triphenylsilane;methyl(triphenyl)silane.

What is the SMILES notation for 2-(3-methylphenyl)-1,3-benzothiazole;2-(4-methylphenyl)-1,3-benzothiazole;2-(3-methylphenyl)-1,3-benzoxazole;2-(4-methylphenyl)-1,3-benzoxazole;2-(3-methylphenyl)dibenzofuran;2-(3-methylphenyl)dibenzothiophene;2-(3-methylphenyl)-3-phenyl-1H-benzimidazol-3-ium;2-(3-methylphenyl)-3-(4-phenylphenyl)-1H-benzimidazol-3-ium;(3-methylphenyl)-triphenylsilane;(4-methylphenyl)-triphenylsilane;methyl(triphenyl)silane?

The canonical SMILES for 2-(3-methylphenyl)-1,3-benzothiazole;2-(4-methylphenyl)-1,3-benzothiazole;2-(3-methylphenyl)-1,3-benzoxazole;2-(4-methylphenyl)-1,3-benzoxazole;2-(3-methylphenyl)dibenzofuran;2-(3-methylphenyl)dibenzothiophene;2-(3-methylphenyl)-3-phenyl-1H-benzimidazol-3-ium;2-(3-methylphenyl)-3-(4-phenylphenyl)-1H-benzimidazol-3-ium;(3-methylphenyl)-triphenylsilane;(4-methylphenyl)-triphenylsilane;methyl(triphenyl)silane is C[Si](c1ccccc1)(c1ccccc1)c1ccccc1.Cc1ccc(-c2nc3ccccc3o2)cc1.Cc1ccc(-c2nc3ccccc3s2)cc1.Cc1ccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.Cc1cccc(-c2[nH]c3ccccc3[n+]2-c2ccc(-c3ccccc3)cc2)c1.Cc1cccc(-c2[nH]c3ccccc3[n+]2-c2ccccc2)c1.Cc1cccc(-c2ccc3oc4ccccc4c3c2)c1.Cc1cccc(-c2ccc3sc4ccccc4c3c2)c1.Cc1cccc(-c2nc3ccccc3o2)c1.Cc1cccc(-c2nc3ccccc3s2)c1.Cc1cccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1.

What is the InChIKey of 2-(3-methylphenyl)-1,3-benzothiazole;2-(4-methylphenyl)-1,3-benzothiazole;2-(3-methylphenyl)-1,3-benzoxazole;2-(4-methylphenyl)-1,3-benzoxazole;2-(3-methylphenyl)dibenzofuran;2-(3-methylphenyl)dibenzothiophene;2-(3-methylphenyl)-3-phenyl-1H-benzimidazol-3-ium;2-(3-methylphenyl)-3-(4-phenylphenyl)-1H-benzimidazol-3-ium;(3-methylphenyl)-triphenylsilane;(4-methylphenyl)-triphenylsilane;methyl(triphenyl)silane?

The InChIKey is BFGLVXCUUGFWCP-UHFFFAOYSA-P. The full InChI is InChI=1S/C26H20N2.2C25H22Si.C20H16N2.C19H14O.C19H14S.C19H18Si.2C14H11NO.2C14H11NS/c1-19-8-7-11-22(18-19)26-27-24-12-5-6-13-25(24)28(26)23-16-14-21(15-17-23)20-9-3-2-4-10-20;1-21-12-11-19-25(20-21)26(22-13-5-2-6-14-22,23-15-7-3-8-16-23)24-17-9-4-10-18-24;1-21-17-19-25(20-18-21)26(22-11-5-2-6-12-22,23-13-7-3-8-14-23)24-15-9-4-10-16-24;1-15-8-7-9-16(14-15)20-21-18-12-5-6-13-19(18)22(20)17-10-3-2-4-11-17;2*1-13-5-4-6-14(11-13)15-9-10-19-17(12-15)16-7-2-3-8-18(16)20-19;1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;1-10-5-4-6-11(9-10)14-15-12-7-2-3-8-13(12)16-14;1-10-6-8-11(9-7-10)14-15-12-4-2-3-5-13(12)16-14;1-10-5-4-6-11(9-10)14-15-12-7-2-3-8-13(12)16-14;1-10-6-8-11(9-7-10)14-15-12-4-2-3-5-13(12)16-14/h2-18H,1H3;2*2-20H,1H3;2-14H,1H3;2*2-12H,1H3;2-16H,1H3;4*2-9H,1H3/p+2.

What are the key properties of 2-(3-methylphenyl)-1,3-benzothiazole;2-(4-methylphenyl)-1,3-benzothiazole;2-(3-methylphenyl)-1,3-benzoxazole;2-(4-methylphenyl)-1,3-benzoxazole;2-(3-methylphenyl)dibenzofuran;2-(3-methylphenyl)dibenzothiophene;2-(3-methylphenyl)-3-phenyl-1H-benzimidazol-3-ium;2-(3-methylphenyl)-3-(4-phenylphenyl)-1H-benzimidazol-3-ium;(3-methylphenyl)-triphenylsilane;(4-methylphenyl)-triphenylsilane;methyl(triphenyl)silane?

2-(3-methylphenyl)-1,3-benzothiazole;2-(4-methylphenyl)-1,3-benzothiazole;2-(3-methylphenyl)-1,3-benzoxazole;2-(4-methylphenyl)-1,3-benzoxazole;2-(3-methylphenyl)dibenzofuran;2-(3-methylphenyl)dibenzothiophene;2-(3-methylphenyl)-3-phenyl-1H-benzimidazol-3-ium;2-(3-methylphenyl)-3-(4-phenylphenyl)-1H-benzimidazol-3-ium;(3-methylphenyl)-triphenylsilane;(4-methylphenyl)-triphenylsilane;methyl(triphenyl)silane has a molecular weight of 3024.19 g/mol, XLogP of 47.78, 22 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-methylphenyl)-1,3-benzothiazole;2-(4-methylphenyl)-1,3-benzothiazole;2-(3-methylphenyl)-1,3-benzoxazole;2-(4-methylphenyl)-1,3-benzoxazole;2-(3-methylphenyl)dibenzofuran;2-(3-methylphenyl)dibenzothiophene;2-(3-methylphenyl)-3-phenyl-1H-benzimidazol-3-ium;2-(3-methylphenyl)-3-(4-phenylphenyl)-1H-benzimidazol-3-ium;(3-methylphenyl)-triphenylsilane;(4-methylphenyl)-triphenylsilane;methyl(triphenyl)silane is sourced from PubChem (CID 159313294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).