beryllium;benzo[h]quinolin-1-ium-10-olate;bis(2-(1,3-benzothiazol-2-yl)-4-fluorophenol);bis(2-(1,3-benzothiazol-2-yl)-4-methylphenol);bis(2-(1,3-benzothiazol-2-yl)-4-(N-phenylanilino)phenol);bis(2-(1,3-benzothiazol-2-yl)-4-phenylphenol);bis(2-(1,3-benzothiazol-2-yl)-4-trimethylsilylphenol);2-(1,3-benzoxazol-3-ium-2-yl)phenolate;zinc

C200H152BeF2N14O13S10Si2Zn5+2 — CID 162273991

About beryllium;benzo[h]quinolin-1-ium-10-olate;bis(2-(1,3-benzothiazol-2-yl)-4-fluorophenol);bis(2-(1,3-benzothiazol-2-yl)-4-methylphenol);bis(2-(1,3-benzothiazol-2-yl)-4-(N-phenylanilino)phenol);bis(2-(1,3-benzothiazol-2-yl)-4-phenylphenol);bis(2-(1,3-benzothiazol-2-yl)-4-trimethylsilylphenol);2-(1,3-benzoxazol-3-ium-2-yl)phenolate;zinc

beryllium;benzo[h]quinolin-1-ium-10-olate;bis(2-(1,3-benzothiazol-2-yl)-4-fluorophenol);bis(2-(1,3-benzothiazol-2-yl)-4-methylphenol);bis(2-(1,3-benzothiazol-2-yl)-4-(N-phenylanilino)phenol);bis(2-(1,3-benzothiazol-2-yl)-4-phenylphenol);bis(2-(1,3-benzothiazol-2-yl)-4-trimethylsilylphenol);2-(1,3-benzoxazol-3-ium-2-yl)phenolate;zinc (PubChem CID 162273991) has the molecular formula C200H152BeF2N14O13S10Si2Zn5+2 and a molecular weight of 3710.30 g/mol. Its IUPAC name is beryllium;benzo[h]quinolin-1-ium-10-olate;bis(2-(1,3-benzothiazol-2-yl)-4-fluorophenol);bis(2-(1,3-benzothiazol-2-yl)-4-methylphenol);bis(2-(1,3-benzothiazol-2-yl)-4-(N-phenylanilino)phenol);bis(2-(1,3-benzothiazol-2-yl)-4-phenylphenol);bis(2-(1,3-benzothiazol-2-yl)-4-trimethylsilylphenol);2-(1,3-benzoxazol-3-ium-2-yl)phenolate;zinc.

Molecular Properties

• Compound Name: beryllium;benzo[h]quinolin-1-ium-10-olate;bis(2-(1,3-benzothiazol-2-yl)-4-fluorophenol);bis(2-(1,3-benzothiazol-2-yl)-4-methylphenol);bis(2-(1,3-benzothiazol-2-yl)-4-(N-phenylanilino)phenol);bis(2-(1,3-benzothiazol-2-yl)-4-phenylphenol);bis(2-(1,3-benzothiazol-2-yl)-4-trimethylsilylphenol);2-(1,3-benzoxazol-3-ium-2-yl)phenolate;zinc
• PubChem CID: 162273991
• Molecular Formula: C200H152BeF2N14O13S10Si2Zn5+2
• Molecular Weight: 3710.30 g/mol
• Exact Mass: 3699.49
• IUPAC Name: beryllium;benzo[h]quinolin-1-ium-10-olate;bis(2-(1,3-benzothiazol-2-yl)-4-fluorophenol);bis(2-(1,3-benzothiazol-2-yl)-4-methylphenol);bis(2-(1,3-benzothiazol-2-yl)-4-(N-phenylanilino)phenol);bis(2-(1,3-benzothiazol-2-yl)-4-phenylphenol);bis(2-(1,3-benzothiazol-2-yl)-4-trimethylsilylphenol);2-(1,3-benzoxazol-3-ium-2-yl)phenolate;zinc
• SMILES: 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.Oc1ccc(-c2ccccc2)cc1-c1nc2ccccc2s1.Oc1ccc(-c2ccccc2)cc1-c1nc2ccccc2s1.Oc1ccc(F)cc1-c1nc2ccccc2s1.Oc1ccc(F)cc1-c1nc2ccccc2s1.Oc1ccc(N(c2ccccc2)c2ccccc2)cc1-c1nc2ccccc2s1.Oc1ccc(N(c2ccccc2)c2ccccc2)cc1-c1nc2ccccc2s1.[Be+2].[O-]c1cccc2ccc3ccc[nH+]c3c12.[O-]c1ccccc1-c1[nH+]c2ccccc2o1.[Zn].[Zn].[Zn].[Zn].[Zn]
• InChI: InChI=1S/2C25H18N2OS.2C19H13NOS.2C16H17NOSSi.2C14H11NOS.2C13H8FNOS.C13H9NO2.C13H9NO.Be.5Zn/c2*28-23-16-15-20(17-21(23)25-26-22-13-7-8-14-24(22)29-25)27(18-9-3-1-4-10-18)19-11-5-2-6-12-19;2*21-17-11-10-14(13-6-2-1-3-7-13)12-15(17)19-20-16-8-4-5-9-18(16)22-19;2*1-20(2,3)11-8-9-14(18)12(10-11)16-17-13-6-4-5-7-15(13)19-16;2*1-9-6-7-12(16)10(8-9)14-15-11-4-2-3-5-13(11)17-14;2*14-8-5-6-11(16)9(7-8)13-15-10-3-1-2-4-12(10)17-13;15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16-13;15-11-5-1-3-9-6-7-10-4-2-8-14-13(10)12(9)11;;;;;;/h2*1-17,28H;2*1-12,21H;2*4-10,18H,1-3H3;2*2-8,16H,1H3;2*1-7,16H;1-8,15H;1-8,15H;;;;;;/q;;;;;;;;;;;;+2
• InChIKey: DKXWRDOCTSDFRK-UHFFFAOYSA-N
• XLogP: 52.42
• TPSA: 425.22 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 35
• Rotatable Bonds: 21
• Heavy Atoms: 247
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3710.30
LogP ≤ 5	52.42
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of beryllium;benzo[h]quinolin-1-ium-10-olate;bis(2-(1,3-benzothiazol-2-yl)-4-fluorophenol);bis(2-(1,3-benzothiazol-2-yl)-4-methylphenol);bis(2-(1,3-benzothiazol-2-yl)-4-(N-phenylanilino)phenol);bis(2-(1,3-benzothiazol-2-yl)-4-phenylphenol);bis(2-(1,3-benzothiazol-2-yl)-4-trimethylsilylphenol);2-(1,3-benzoxazol-3-ium-2-yl)phenolate;zinc?

The IUPAC name of beryllium;benzo[h]quinolin-1-ium-10-olate;bis(2-(1,3-benzothiazol-2-yl)-4-fluorophenol);bis(2-(1,3-benzothiazol-2-yl)-4-methylphenol);bis(2-(1,3-benzothiazol-2-yl)-4-(N-phenylanilino)phenol);bis(2-(1,3-benzothiazol-2-yl)-4-phenylphenol);bis(2-(1,3-benzothiazol-2-yl)-4-trimethylsilylphenol);2-(1,3-benzoxazol-3-ium-2-yl)phenolate;zinc (CID 162273991) is beryllium;benzo[h]quinolin-1-ium-10-olate;bis(2-(1,3-benzothiazol-2-yl)-4-fluorophenol);bis(2-(1,3-benzothiazol-2-yl)-4-methylphenol);bis(2-(1,3-benzothiazol-2-yl)-4-(N-phenylanilino)phenol);bis(2-(1,3-benzothiazol-2-yl)-4-phenylphenol);bis(2-(1,3-benzothiazol-2-yl)-4-trimethylsilylphenol);2-(1,3-benzoxazol-3-ium-2-yl)phenolate;zinc.

What is the SMILES notation for beryllium;benzo[h]quinolin-1-ium-10-olate;bis(2-(1,3-benzothiazol-2-yl)-4-fluorophenol);bis(2-(1,3-benzothiazol-2-yl)-4-methylphenol);bis(2-(1,3-benzothiazol-2-yl)-4-(N-phenylanilino)phenol);bis(2-(1,3-benzothiazol-2-yl)-4-phenylphenol);bis(2-(1,3-benzothiazol-2-yl)-4-trimethylsilylphenol);2-(1,3-benzoxazol-3-ium-2-yl)phenolate;zinc?

The canonical SMILES for beryllium;benzo[h]quinolin-1-ium-10-olate;bis(2-(1,3-benzothiazol-2-yl)-4-fluorophenol);bis(2-(1,3-benzothiazol-2-yl)-4-methylphenol);bis(2-(1,3-benzothiazol-2-yl)-4-(N-phenylanilino)phenol);bis(2-(1,3-benzothiazol-2-yl)-4-phenylphenol);bis(2-(1,3-benzothiazol-2-yl)-4-trimethylsilylphenol);2-(1,3-benzoxazol-3-ium-2-yl)phenolate;zinc is 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.Oc1ccc(-c2ccccc2)cc1-c1nc2ccccc2s1.Oc1ccc(-c2ccccc2)cc1-c1nc2ccccc2s1.Oc1ccc(F)cc1-c1nc2ccccc2s1.Oc1ccc(F)cc1-c1nc2ccccc2s1.Oc1ccc(N(c2ccccc2)c2ccccc2)cc1-c1nc2ccccc2s1.Oc1ccc(N(c2ccccc2)c2ccccc2)cc1-c1nc2ccccc2s1.[Be+2].[O-]c1cccc2ccc3ccc[nH+]c3c12.[O-]c1ccccc1-c1[nH+]c2ccccc2o1.[Zn].[Zn].[Zn].[Zn].[Zn].

What is the InChIKey of beryllium;benzo[h]quinolin-1-ium-10-olate;bis(2-(1,3-benzothiazol-2-yl)-4-fluorophenol);bis(2-(1,3-benzothiazol-2-yl)-4-methylphenol);bis(2-(1,3-benzothiazol-2-yl)-4-(N-phenylanilino)phenol);bis(2-(1,3-benzothiazol-2-yl)-4-phenylphenol);bis(2-(1,3-benzothiazol-2-yl)-4-trimethylsilylphenol);2-(1,3-benzoxazol-3-ium-2-yl)phenolate;zinc?

The InChIKey is DKXWRDOCTSDFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H18N2OS.2C19H13NOS.2C16H17NOSSi.2C14H11NOS.2C13H8FNOS.C13H9NO2.C13H9NO.Be.5Zn/c2*28-23-16-15-20(17-21(23)25-26-22-13-7-8-14-24(22)29-25)27(18-9-3-1-4-10-18)19-11-5-2-6-12-19;2*21-17-11-10-14(13-6-2-1-3-7-13)12-15(17)19-20-16-8-4-5-9-18(16)22-19;2*1-20(2,3)11-8-9-14(18)12(10-11)16-17-13-6-4-5-7-15(13)19-16;2*1-9-6-7-12(16)10(8-9)14-15-11-4-2-3-5-13(11)17-14;2*14-8-5-6-11(16)9(7-8)13-15-10-3-1-2-4-12(10)17-13;15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16-13;15-11-5-1-3-9-6-7-10-4-2-8-14-13(10)12(9)11;;;;;;/h2*1-17,28H;2*1-12,21H;2*4-10,18H,1-3H3;2*2-8,16H,1H3;2*1-7,16H;1-8,15H;1-8,15H;;;;;;/q;;;;;;;;;;;;+2;;;;;.

What are the key properties of beryllium;benzo[h]quinolin-1-ium-10-olate;bis(2-(1,3-benzothiazol-2-yl)-4-fluorophenol);bis(2-(1,3-benzothiazol-2-yl)-4-methylphenol);bis(2-(1,3-benzothiazol-2-yl)-4-(N-phenylanilino)phenol);bis(2-(1,3-benzothiazol-2-yl)-4-phenylphenol);bis(2-(1,3-benzothiazol-2-yl)-4-trimethylsilylphenol);2-(1,3-benzoxazol-3-ium-2-yl)phenolate;zinc?

beryllium;benzo[h]quinolin-1-ium-10-olate;bis(2-(1,3-benzothiazol-2-yl)-4-fluorophenol);bis(2-(1,3-benzothiazol-2-yl)-4-methylphenol);bis(2-(1,3-benzothiazol-2-yl)-4-(N-phenylanilino)phenol);bis(2-(1,3-benzothiazol-2-yl)-4-phenylphenol);bis(2-(1,3-benzothiazol-2-yl)-4-trimethylsilylphenol);2-(1,3-benzoxazol-3-ium-2-yl)phenolate;zinc has a molecular weight of 3710.30 g/mol, XLogP of 52.42, 21 rotatable bonds, 10 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for beryllium;benzo[h]quinolin-1-ium-10-olate;bis(2-(1,3-benzothiazol-2-yl)-4-fluorophenol);bis(2-(1,3-benzothiazol-2-yl)-4-methylphenol);bis(2-(1,3-benzothiazol-2-yl)-4-(N-phenylanilino)phenol);bis(2-(1,3-benzothiazol-2-yl)-4-phenylphenol);bis(2-(1,3-benzothiazol-2-yl)-4-trimethylsilylphenol);2-(1,3-benzoxazol-3-ium-2-yl)phenolate;zinc is sourced from PubChem (CID 162273991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).