beryllium;benzo[h]quinolin-1-ium-10-olate;2-(1-phenylbenzimidazol-3-ium-2-yl)phenolate;bis(2-(6-phenyl-1,3-benzothiazol-2-yl)phenol);bis(2-(6-triphenylsilyl-1,3-benzothiazol-2-yl)phenol);zinc

C132H95BeN7O6S4Si2Zn2+2 — CID 159719456

About beryllium;benzo[h]quinolin-1-ium-10-olate;2-(1-phenylbenzimidazol-3-ium-2-yl)phenolate;bis(2-(6-phenyl-1,3-benzothiazol-2-yl)phenol);bis(2-(6-triphenylsilyl-1,3-benzothiazol-2-yl)phenol);zinc

beryllium;benzo[h]quinolin-1-ium-10-olate;2-(1-phenylbenzimidazol-3-ium-2-yl)phenolate;bis(2-(6-phenyl-1,3-benzothiazol-2-yl)phenol);bis(2-(6-triphenylsilyl-1,3-benzothiazol-2-yl)phenol);zinc (PubChem CID 159719456) has the molecular formula C132H95BeN7O6S4Si2Zn2+2 and a molecular weight of 2199.49 g/mol. Its IUPAC name is beryllium;benzo[h]quinolin-1-ium-10-olate;2-(1-phenylbenzimidazol-3-ium-2-yl)phenolate;bis(2-(6-phenyl-1,3-benzothiazol-2-yl)phenol);bis(2-(6-triphenylsilyl-1,3-benzothiazol-2-yl)phenol);zinc.

Molecular Properties

• Compound Name: beryllium;benzo[h]quinolin-1-ium-10-olate;2-(1-phenylbenzimidazol-3-ium-2-yl)phenolate;bis(2-(6-phenyl-1,3-benzothiazol-2-yl)phenol);bis(2-(6-triphenylsilyl-1,3-benzothiazol-2-yl)phenol);zinc
• PubChem CID: 159719456
• Molecular Formula: C132H95BeN7O6S4Si2Zn2+2
• Molecular Weight: 2199.49 g/mol
• Exact Mass: 2194.45
• IUPAC Name: beryllium;benzo[h]quinolin-1-ium-10-olate;2-(1-phenylbenzimidazol-3-ium-2-yl)phenolate;bis(2-(6-phenyl-1,3-benzothiazol-2-yl)phenol);bis(2-(6-triphenylsilyl-1,3-benzothiazol-2-yl)phenol);zinc
• SMILES: Oc1ccccc1-c1nc2ccc(-c3ccccc3)cc2s1.Oc1ccccc1-c1nc2ccc(-c3ccccc3)cc2s1.Oc1ccccc1-c1nc2ccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)cc2s1.Oc1ccccc1-c1nc2ccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)cc2s1.[Be+2].[O-]c1cccc2ccc3ccc[nH+]c3c12.[O-]c1ccccc1-c1[nH+]c2ccccc2n1-c1ccccc1.[Zn].[Zn]
• InChI: InChI=1S/2C31H23NOSSi.C19H14N2O.2C19H13NOS.C13H9NO.Be.2Zn/c2*33-29-19-11-10-18-27(29)31-32-28-21-20-26(22-30(28)34-31)35(23-12-4-1-5-13-23,24-14-6-2-7-15-24)25-16-8-3-9-17-25;22-18-13-7-4-10-15(18)19-20-16-11-5-6-12-17(16)21(19)14-8-2-1-3-9-14;2*21-17-9-5-4-8-15(17)19-20-16-11-10-14(12-18(16)22-19)13-6-2-1-3-7-13;15-11-5-1-3-9-6-7-10-4-2-8-14-13(10)12(9)11;;;/h2*1-22,33H;1-13,22H;2*1-12,21H;1-8,15H;;;/q;;;;;;+2
• InChIKey: YKDSMVLBTRXTOJ-UHFFFAOYSA-N
• XLogP: 25.44
• TPSA: 211.81 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 15
• Rotatable Bonds: 16
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2199.49
LogP ≤ 5	25.44
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of beryllium;benzo[h]quinolin-1-ium-10-olate;2-(1-phenylbenzimidazol-3-ium-2-yl)phenolate;bis(2-(6-phenyl-1,3-benzothiazol-2-yl)phenol);bis(2-(6-triphenylsilyl-1,3-benzothiazol-2-yl)phenol);zinc?

The IUPAC name of beryllium;benzo[h]quinolin-1-ium-10-olate;2-(1-phenylbenzimidazol-3-ium-2-yl)phenolate;bis(2-(6-phenyl-1,3-benzothiazol-2-yl)phenol);bis(2-(6-triphenylsilyl-1,3-benzothiazol-2-yl)phenol);zinc (CID 159719456) is beryllium;benzo[h]quinolin-1-ium-10-olate;2-(1-phenylbenzimidazol-3-ium-2-yl)phenolate;bis(2-(6-phenyl-1,3-benzothiazol-2-yl)phenol);bis(2-(6-triphenylsilyl-1,3-benzothiazol-2-yl)phenol);zinc.

What is the SMILES notation for beryllium;benzo[h]quinolin-1-ium-10-olate;2-(1-phenylbenzimidazol-3-ium-2-yl)phenolate;bis(2-(6-phenyl-1,3-benzothiazol-2-yl)phenol);bis(2-(6-triphenylsilyl-1,3-benzothiazol-2-yl)phenol);zinc?

The canonical SMILES for beryllium;benzo[h]quinolin-1-ium-10-olate;2-(1-phenylbenzimidazol-3-ium-2-yl)phenolate;bis(2-(6-phenyl-1,3-benzothiazol-2-yl)phenol);bis(2-(6-triphenylsilyl-1,3-benzothiazol-2-yl)phenol);zinc is Oc1ccccc1-c1nc2ccc(-c3ccccc3)cc2s1.Oc1ccccc1-c1nc2ccc(-c3ccccc3)cc2s1.Oc1ccccc1-c1nc2ccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)cc2s1.Oc1ccccc1-c1nc2ccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)cc2s1.[Be+2].[O-]c1cccc2ccc3ccc[nH+]c3c12.[O-]c1ccccc1-c1[nH+]c2ccccc2n1-c1ccccc1.[Zn].[Zn].

What is the InChIKey of beryllium;benzo[h]quinolin-1-ium-10-olate;2-(1-phenylbenzimidazol-3-ium-2-yl)phenolate;bis(2-(6-phenyl-1,3-benzothiazol-2-yl)phenol);bis(2-(6-triphenylsilyl-1,3-benzothiazol-2-yl)phenol);zinc?

The InChIKey is YKDSMVLBTRXTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C31H23NOSSi.C19H14N2O.2C19H13NOS.C13H9NO.Be.2Zn/c2*33-29-19-11-10-18-27(29)31-32-28-21-20-26(22-30(28)34-31)35(23-12-4-1-5-13-23,24-14-6-2-7-15-24)25-16-8-3-9-17-25;22-18-13-7-4-10-15(18)19-20-16-11-5-6-12-17(16)21(19)14-8-2-1-3-9-14;2*21-17-9-5-4-8-15(17)19-20-16-11-10-14(12-18(16)22-19)13-6-2-1-3-7-13;15-11-5-1-3-9-6-7-10-4-2-8-14-13(10)12(9)11;;;/h2*1-22,33H;1-13,22H;2*1-12,21H;1-8,15H;;;/q;;;;;;+2;;.

What are the key properties of beryllium;benzo[h]quinolin-1-ium-10-olate;2-(1-phenylbenzimidazol-3-ium-2-yl)phenolate;bis(2-(6-phenyl-1,3-benzothiazol-2-yl)phenol);bis(2-(6-triphenylsilyl-1,3-benzothiazol-2-yl)phenol);zinc?

beryllium;benzo[h]quinolin-1-ium-10-olate;2-(1-phenylbenzimidazol-3-ium-2-yl)phenolate;bis(2-(6-phenyl-1,3-benzothiazol-2-yl)phenol);bis(2-(6-triphenylsilyl-1,3-benzothiazol-2-yl)phenol);zinc has a molecular weight of 2199.49 g/mol, XLogP of 25.44, 16 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for beryllium;benzo[h]quinolin-1-ium-10-olate;2-(1-phenylbenzimidazol-3-ium-2-yl)phenolate;bis(2-(6-phenyl-1,3-benzothiazol-2-yl)phenol);bis(2-(6-triphenylsilyl-1,3-benzothiazol-2-yl)phenol);zinc is sourced from PubChem (CID 159719456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).