tris(2-(1,3-benzothiazol-2-yl)-4-methylphenol);tris(1-(1,3-benzothiazol-2-yl)naphthalen-2-ol);tris(2-(1,3-benzothiazol-2-yl)-4-trimethylsilylphenol);carbanide;zinc;trichloride

C144H126Cl3N9O9S9Si3Zn6-6 — CID 162287157

About tris(2-(1,3-benzothiazol-2-yl)-4-methylphenol);tris(1-(1,3-benzothiazol-2-yl)naphthalen-2-ol);tris(2-(1,3-benzothiazol-2-yl)-4-trimethylsilylphenol);carbanide;zinc;trichloride

tris(2-(1,3-benzothiazol-2-yl)-4-methylphenol);tris(1-(1,3-benzothiazol-2-yl)naphthalen-2-ol);tris(2-(1,3-benzothiazol-2-yl)-4-trimethylsilylphenol);carbanide;zinc;trichloride (PubChem CID 162287157) has the molecular formula C144H126Cl3N9O9S9Si3Zn6-6 and a molecular weight of 2998.21 g/mol. Its IUPAC name is tris(2-(1,3-benzothiazol-2-yl)-4-methylphenol);tris(1-(1,3-benzothiazol-2-yl)naphthalen-2-ol);tris(2-(1,3-benzothiazol-2-yl)-4-trimethylsilylphenol);carbanide;zinc;trichloride.

Molecular Properties

• Compound Name: tris(2-(1,3-benzothiazol-2-yl)-4-methylphenol);tris(1-(1,3-benzothiazol-2-yl)naphthalen-2-ol);tris(2-(1,3-benzothiazol-2-yl)-4-trimethylsilylphenol);carbanide;zinc;trichloride
• PubChem CID: 162287157
• Molecular Formula: C144H126Cl3N9O9S9Si3Zn6-6
• Molecular Weight: 2998.21 g/mol
• Exact Mass: 2985.13
• IUPAC Name: tris(2-(1,3-benzothiazol-2-yl)-4-methylphenol);tris(1-(1,3-benzothiazol-2-yl)naphthalen-2-ol);tris(2-(1,3-benzothiazol-2-yl)-4-trimethylsilylphenol);carbanide;zinc;trichloride
• SMILES: C[Si](C)(C)c1ccc(O)c(-c2nc3ccccc3s2)c1.C[Si](C)(C)c1ccc(O)c(-c2nc3ccccc3s2)c1.C[Si](C)(C)c1ccc(O)c(-c2nc3ccccc3s2)c1.Cc1ccc(O)c(-c2nc3ccccc3s2)c1.Cc1ccc(O)c(-c2nc3ccccc3s2)c1.Cc1ccc(O)c(-c2nc3ccccc3s2)c1.Oc1ccc2ccccc2c1-c1nc2ccccc2s1.Oc1ccc2ccccc2c1-c1nc2ccccc2s1.Oc1ccc2ccccc2c1-c1nc2ccccc2s1.[CH3-].[CH3-].[CH3-].[Cl-].[Cl-].[Cl-].[Zn].[Zn].[Zn].[Zn].[Zn].[Zn]
• InChI: InChI=1S/3C17H11NOS.3C16H17NOSSi.3C14H11NOS.3CH3.3ClH.6Zn/c3*19-14-10-9-11-5-1-2-6-12(11)16(14)17-18-13-7-3-4-8-15(13)20-17;3*1-20(2,3)11-8-9-14(18)12(10-11)16-17-13-6-4-5-7-15(13)19-16;3*1-9-6-7-12(16)10(8-9)14-15-11-4-2-3-5-13(11)17-14;;;;;;;;;;;;/h3*1-10,19H;3*4-10,18H,1-3H3;3*2-8,16H,1H3;3*1H3;3*1H;;;;;;/q;;;;;;;;;3*-1;;;;;;;;;/p-3
• InChIKey: KZOZWEHLIHSNMH-UHFFFAOYSA-K
• XLogP: 31.39
• TPSA: 298.08 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 27
• Rotatable Bonds: 12
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2998.21
LogP ≤ 5	31.39
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tris(2-(1,3-benzothiazol-2-yl)-4-methylphenol);tris(1-(1,3-benzothiazol-2-yl)naphthalen-2-ol);tris(2-(1,3-benzothiazol-2-yl)-4-trimethylsilylphenol);carbanide;zinc;trichloride?

The IUPAC name of tris(2-(1,3-benzothiazol-2-yl)-4-methylphenol);tris(1-(1,3-benzothiazol-2-yl)naphthalen-2-ol);tris(2-(1,3-benzothiazol-2-yl)-4-trimethylsilylphenol);carbanide;zinc;trichloride (CID 162287157) is tris(2-(1,3-benzothiazol-2-yl)-4-methylphenol);tris(1-(1,3-benzothiazol-2-yl)naphthalen-2-ol);tris(2-(1,3-benzothiazol-2-yl)-4-trimethylsilylphenol);carbanide;zinc;trichloride.

What is the SMILES notation for tris(2-(1,3-benzothiazol-2-yl)-4-methylphenol);tris(1-(1,3-benzothiazol-2-yl)naphthalen-2-ol);tris(2-(1,3-benzothiazol-2-yl)-4-trimethylsilylphenol);carbanide;zinc;trichloride?

The canonical SMILES for tris(2-(1,3-benzothiazol-2-yl)-4-methylphenol);tris(1-(1,3-benzothiazol-2-yl)naphthalen-2-ol);tris(2-(1,3-benzothiazol-2-yl)-4-trimethylsilylphenol);carbanide;zinc;trichloride is C[Si](C)(C)c1ccc(O)c(-c2nc3ccccc3s2)c1.C[Si](C)(C)c1ccc(O)c(-c2nc3ccccc3s2)c1.C[Si](C)(C)c1ccc(O)c(-c2nc3ccccc3s2)c1.Cc1ccc(O)c(-c2nc3ccccc3s2)c1.Cc1ccc(O)c(-c2nc3ccccc3s2)c1.Cc1ccc(O)c(-c2nc3ccccc3s2)c1.Oc1ccc2ccccc2c1-c1nc2ccccc2s1.Oc1ccc2ccccc2c1-c1nc2ccccc2s1.Oc1ccc2ccccc2c1-c1nc2ccccc2s1.[CH3-].[CH3-].[CH3-].[Cl-].[Cl-].[Cl-].[Zn].[Zn].[Zn].[Zn].[Zn].[Zn].

What is the InChIKey of tris(2-(1,3-benzothiazol-2-yl)-4-methylphenol);tris(1-(1,3-benzothiazol-2-yl)naphthalen-2-ol);tris(2-(1,3-benzothiazol-2-yl)-4-trimethylsilylphenol);carbanide;zinc;trichloride?

The InChIKey is KZOZWEHLIHSNMH-UHFFFAOYSA-K. The full InChI is InChI=1S/3C17H11NOS.3C16H17NOSSi.3C14H11NOS.3CH3.3ClH.6Zn/c3*19-14-10-9-11-5-1-2-6-12(11)16(14)17-18-13-7-3-4-8-15(13)20-17;3*1-20(2,3)11-8-9-14(18)12(10-11)16-17-13-6-4-5-7-15(13)19-16;3*1-9-6-7-12(16)10(8-9)14-15-11-4-2-3-5-13(11)17-14;;;;;;;;;;;;/h3*1-10,19H;3*4-10,18H,1-3H3;3*2-8,16H,1H3;3*1H3;3*1H;;;;;;/q;;;;;;;;;3*-1;;;;;;;;;/p-3.

What are the key properties of tris(2-(1,3-benzothiazol-2-yl)-4-methylphenol);tris(1-(1,3-benzothiazol-2-yl)naphthalen-2-ol);tris(2-(1,3-benzothiazol-2-yl)-4-trimethylsilylphenol);carbanide;zinc;trichloride?

tris(2-(1,3-benzothiazol-2-yl)-4-methylphenol);tris(1-(1,3-benzothiazol-2-yl)naphthalen-2-ol);tris(2-(1,3-benzothiazol-2-yl)-4-trimethylsilylphenol);carbanide;zinc;trichloride has a molecular weight of 2998.21 g/mol, XLogP of 31.39, 12 rotatable bonds, 9 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for tris(2-(1,3-benzothiazol-2-yl)-4-methylphenol);tris(1-(1,3-benzothiazol-2-yl)naphthalen-2-ol);tris(2-(1,3-benzothiazol-2-yl)-4-trimethylsilylphenol);carbanide;zinc;trichloride is sourced from PubChem (CID 162287157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).