tetraberyllium;bis(1-(1,3-benzothiazol-3-ium-2-yl)naphthalen-2-olate);bis(2-(1,3-benzothiazol-3-ium-2-yl)naphthalen-1-olate);bis(1-(1,3-benzothiazol-2-yl)naphthalen-2-ol);bis(2-(1,3-benzothiazol-2-yl)naphthalen-1-ol);bis(2-(5,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)naphthalen-1-olate);bis(3-(5,6-dimethyl-1,3-benzothiazol-2-yl)naphthalen-2-ol);2-(5-methyl-1,3-benzothiazol-3-ium-2-yl)naphthalen-1-olate;2-(6-methyl-1,3-benzothiazol-3-ium-2-yl)naphthalen-1-olate;2-(5-phenyl-1,3-benzothiazol-2-yl)naphthalen-1-ol;2-(5-phenyl-1,3-benzothiazol-2-yl)phenol;zinc

C290H202Be4N16O16S16Zn4+8 — CID 162273358

About tetraberyllium;bis(1-(1,3-benzothiazol-3-ium-2-yl)naphthalen-2-olate);bis(2-(1,3-benzothiazol-3-ium-2-yl)naphthalen-1-olate);bis(1-(1,3-benzothiazol-2-yl)naphthalen-2-ol);bis(2-(1,3-benzothiazol-2-yl)naphthalen-1-ol);bis(2-(5,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)naphthalen-1-olate);bis(3-(5,6-dimethyl-1,3-benzothiazol-2-yl)naphthalen-2-ol);2-(5-methyl-1,3-benzothiazol-3-ium-2-yl)naphthalen-1-olate;2-(6-methyl-1,3-benzothiazol-3-ium-2-yl)naphthalen-1-olate;2-(5-phenyl-1,3-benzothiazol-2-yl)naphthalen-1-ol;2-(5-phenyl-1,3-benzothiazol-2-yl)phenol;zinc

tetraberyllium;bis(1-(1,3-benzothiazol-3-ium-2-yl)naphthalen-2-olate);bis(2-(1,3-benzothiazol-3-ium-2-yl)naphthalen-1-olate);bis(1-(1,3-benzothiazol-2-yl)naphthalen-2-ol);bis(2-(1,3-benzothiazol-2-yl)naphthalen-1-ol);bis(2-(5,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)naphthalen-1-olate);bis(3-(5,6-dimethyl-1,3-benzothiazol-2-yl)naphthalen-2-ol);2-(5-methyl-1,3-benzothiazol-3-ium-2-yl)naphthalen-1-olate;2-(6-methyl-1,3-benzothiazol-3-ium-2-yl)naphthalen-1-olate;2-(5-phenyl-1,3-benzothiazol-2-yl)naphthalen-1-ol;2-(5-phenyl-1,3-benzothiazol-2-yl)phenol;zinc (PubChem CID 162273358) has the molecular formula C290H202Be4N16O16S16Zn4+8 and a molecular weight of 4977.58 g/mol. Its IUPAC name is tetraberyllium;bis(1-(1,3-benzothiazol-3-ium-2-yl)naphthalen-2-olate);bis(2-(1,3-benzothiazol-3-ium-2-yl)naphthalen-1-olate);bis(1-(1,3-benzothiazol-2-yl)naphthalen-2-ol);bis(2-(1,3-benzothiazol-2-yl)naphthalen-1-ol);bis(2-(5,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)naphthalen-1-olate);bis(3-(5,6-dimethyl-1,3-benzothiazol-2-yl)naphthalen-2-ol);2-(5-methyl-1,3-benzothiazol-3-ium-2-yl)naphthalen-1-olate;2-(6-methyl-1,3-benzothiazol-3-ium-2-yl)naphthalen-1-olate;2-(5-phenyl-1,3-benzothiazol-2-yl)naphthalen-1-ol;2-(5-phenyl-1,3-benzothiazol-2-yl)phenol;zinc.

Molecular Properties

• Compound Name: tetraberyllium;bis(1-(1,3-benzothiazol-3-ium-2-yl)naphthalen-2-olate);bis(2-(1,3-benzothiazol-3-ium-2-yl)naphthalen-1-olate);bis(1-(1,3-benzothiazol-2-yl)naphthalen-2-ol);bis(2-(1,3-benzothiazol-2-yl)naphthalen-1-ol);bis(2-(5,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)naphthalen-1-olate);bis(3-(5,6-dimethyl-1,3-benzothiazol-2-yl)naphthalen-2-ol);2-(5-methyl-1,3-benzothiazol-3-ium-2-yl)naphthalen-1-olate;2-(6-methyl-1,3-benzothiazol-3-ium-2-yl)naphthalen-1-olate;2-(5-phenyl-1,3-benzothiazol-2-yl)naphthalen-1-ol;2-(5-phenyl-1,3-benzothiazol-2-yl)phenol;zinc
• PubChem CID: 162273358
• Molecular Formula: C290H202Be4N16O16S16Zn4+8
• Molecular Weight: 4977.58 g/mol
• Exact Mass: 4966.86
• IUPAC Name: tetraberyllium;bis(1-(1,3-benzothiazol-3-ium-2-yl)naphthalen-2-olate);bis(2-(1,3-benzothiazol-3-ium-2-yl)naphthalen-1-olate);bis(1-(1,3-benzothiazol-2-yl)naphthalen-2-ol);bis(2-(1,3-benzothiazol-2-yl)naphthalen-1-ol);bis(2-(5,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)naphthalen-1-olate);bis(3-(5,6-dimethyl-1,3-benzothiazol-2-yl)naphthalen-2-ol);2-(5-methyl-1,3-benzothiazol-3-ium-2-yl)naphthalen-1-olate;2-(6-methyl-1,3-benzothiazol-3-ium-2-yl)naphthalen-1-olate;2-(5-phenyl-1,3-benzothiazol-2-yl)naphthalen-1-ol;2-(5-phenyl-1,3-benzothiazol-2-yl)phenol;zinc
• SMILES: Cc1cc2[nH+]c(-c3ccc4ccccc4c3[O-])sc2cc1C.Cc1cc2[nH+]c(-c3ccc4ccccc4c3[O-])sc2cc1C.Cc1cc2nc(-c3cc4ccccc4cc3O)sc2cc1C.Cc1cc2nc(-c3cc4ccccc4cc3O)sc2cc1C.Cc1ccc2[nH+]c(-c3ccc4ccccc4c3[O-])sc2c1.Cc1ccc2sc(-c3ccc4ccccc4c3[O-])[nH+]c2c1.Oc1c(-c2nc3cc(-c4ccccc4)ccc3s2)ccc2ccccc12.Oc1c(-c2nc3ccccc3s2)ccc2ccccc12.Oc1c(-c2nc3ccccc3s2)ccc2ccccc12.Oc1ccc2ccccc2c1-c1nc2ccccc2s1.Oc1ccc2ccccc2c1-c1nc2ccccc2s1.Oc1ccccc1-c1nc2cc(-c3ccccc3)ccc2s1.[Be+2].[Be+2].[Be+2].[Be+2].[O-]c1c(-c2[nH+]c3ccccc3s2)ccc2ccccc12.[O-]c1c(-c2[nH+]c3ccccc3s2)ccc2ccccc12.[O-]c1ccc2ccccc2c1-c1[nH+]c2ccccc2s1.[O-]c1ccc2ccccc2c1-c1[nH+]c2ccccc2s1.[Zn].[Zn].[Zn].[Zn]
• InChI: InChI=1S/C23H15NOS.4C19H15NOS.C19H13NOS.2C18H13NOS.8C17H11NOS.4Be.4Zn/c25-22-18-9-5-4-8-16(18)10-12-19(22)23-24-20-14-17(11-13-21(20)26-23)15-6-2-1-3-7-15;2*1-11-7-16-18(8-12(11)2)22-19(20-16)15-9-13-5-3-4-6-14(13)10-17(15)21;2*1-11-9-16-17(10-12(11)2)22-19(20-16)15-8-7-13-5-3-4-6-14(13)18(15)21;21-17-9-5-4-8-15(17)19-20-16-12-14(10-11-18(16)22-19)13-6-2-1-3-7-13;1-11-6-9-16-15(10-11)19-18(21-16)14-8-7-12-4-2-3-5-13(12)17(14)20;1-11-6-9-15-16(10-11)21-18(19-15)14-8-7-12-4-2-3-5-13(12)17(14)20;4*19-16-12-6-2-1-5-11(12)9-10-13(16)17-18-14-7-3-4-8-15(14)20-17;4*19-14-10-9-11-5-1-2-6-12(11)16(14)17-18-13-7-3-4-8-15(13)20-17;;;;;;;;/h1-14,25H;4*3-10,21H,1-2H3;1-12,21H;2*2-10,20H,1H3;8*1-10,19H;;;;;;;;/q;;;;;;;;;;;;;;;;4*+2
• InChIKey: CCLYYCUWFAMAIO-UHFFFAOYSA-N
• XLogP: 71.18
• TPSA: 562.56 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 40
• Rotatable Bonds: 18
• Heavy Atoms: 346
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4977.58
LogP ≤ 5	71.18
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	40

Frequently Asked Questions

What is the IUPAC name of tetraberyllium;bis(1-(1,3-benzothiazol-3-ium-2-yl)naphthalen-2-olate);bis(2-(1,3-benzothiazol-3-ium-2-yl)naphthalen-1-olate);bis(1-(1,3-benzothiazol-2-yl)naphthalen-2-ol);bis(2-(1,3-benzothiazol-2-yl)naphthalen-1-ol);bis(2-(5,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)naphthalen-1-olate);bis(3-(5,6-dimethyl-1,3-benzothiazol-2-yl)naphthalen-2-ol);2-(5-methyl-1,3-benzothiazol-3-ium-2-yl)naphthalen-1-olate;2-(6-methyl-1,3-benzothiazol-3-ium-2-yl)naphthalen-1-olate;2-(5-phenyl-1,3-benzothiazol-2-yl)naphthalen-1-ol;2-(5-phenyl-1,3-benzothiazol-2-yl)phenol;zinc?

The IUPAC name of tetraberyllium;bis(1-(1,3-benzothiazol-3-ium-2-yl)naphthalen-2-olate);bis(2-(1,3-benzothiazol-3-ium-2-yl)naphthalen-1-olate);bis(1-(1,3-benzothiazol-2-yl)naphthalen-2-ol);bis(2-(1,3-benzothiazol-2-yl)naphthalen-1-ol);bis(2-(5,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)naphthalen-1-olate);bis(3-(5,6-dimethyl-1,3-benzothiazol-2-yl)naphthalen-2-ol);2-(5-methyl-1,3-benzothiazol-3-ium-2-yl)naphthalen-1-olate;2-(6-methyl-1,3-benzothiazol-3-ium-2-yl)naphthalen-1-olate;2-(5-phenyl-1,3-benzothiazol-2-yl)naphthalen-1-ol;2-(5-phenyl-1,3-benzothiazol-2-yl)phenol;zinc (CID 162273358) is tetraberyllium;bis(1-(1,3-benzothiazol-3-ium-2-yl)naphthalen-2-olate);bis(2-(1,3-benzothiazol-3-ium-2-yl)naphthalen-1-olate);bis(1-(1,3-benzothiazol-2-yl)naphthalen-2-ol);bis(2-(1,3-benzothiazol-2-yl)naphthalen-1-ol);bis(2-(5,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)naphthalen-1-olate);bis(3-(5,6-dimethyl-1,3-benzothiazol-2-yl)naphthalen-2-ol);2-(5-methyl-1,3-benzothiazol-3-ium-2-yl)naphthalen-1-olate;2-(6-methyl-1,3-benzothiazol-3-ium-2-yl)naphthalen-1-olate;2-(5-phenyl-1,3-benzothiazol-2-yl)naphthalen-1-ol;2-(5-phenyl-1,3-benzothiazol-2-yl)phenol;zinc.

What is the SMILES notation for tetraberyllium;bis(1-(1,3-benzothiazol-3-ium-2-yl)naphthalen-2-olate);bis(2-(1,3-benzothiazol-3-ium-2-yl)naphthalen-1-olate);bis(1-(1,3-benzothiazol-2-yl)naphthalen-2-ol);bis(2-(1,3-benzothiazol-2-yl)naphthalen-1-ol);bis(2-(5,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)naphthalen-1-olate);bis(3-(5,6-dimethyl-1,3-benzothiazol-2-yl)naphthalen-2-ol);2-(5-methyl-1,3-benzothiazol-3-ium-2-yl)naphthalen-1-olate;2-(6-methyl-1,3-benzothiazol-3-ium-2-yl)naphthalen-1-olate;2-(5-phenyl-1,3-benzothiazol-2-yl)naphthalen-1-ol;2-(5-phenyl-1,3-benzothiazol-2-yl)phenol;zinc?

The canonical SMILES for tetraberyllium;bis(1-(1,3-benzothiazol-3-ium-2-yl)naphthalen-2-olate);bis(2-(1,3-benzothiazol-3-ium-2-yl)naphthalen-1-olate);bis(1-(1,3-benzothiazol-2-yl)naphthalen-2-ol);bis(2-(1,3-benzothiazol-2-yl)naphthalen-1-ol);bis(2-(5,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)naphthalen-1-olate);bis(3-(5,6-dimethyl-1,3-benzothiazol-2-yl)naphthalen-2-ol);2-(5-methyl-1,3-benzothiazol-3-ium-2-yl)naphthalen-1-olate;2-(6-methyl-1,3-benzothiazol-3-ium-2-yl)naphthalen-1-olate;2-(5-phenyl-1,3-benzothiazol-2-yl)naphthalen-1-ol;2-(5-phenyl-1,3-benzothiazol-2-yl)phenol;zinc is Cc1cc2[nH+]c(-c3ccc4ccccc4c3[O-])sc2cc1C.Cc1cc2[nH+]c(-c3ccc4ccccc4c3[O-])sc2cc1C.Cc1cc2nc(-c3cc4ccccc4cc3O)sc2cc1C.Cc1cc2nc(-c3cc4ccccc4cc3O)sc2cc1C.Cc1ccc2[nH+]c(-c3ccc4ccccc4c3[O-])sc2c1.Cc1ccc2sc(-c3ccc4ccccc4c3[O-])[nH+]c2c1.Oc1c(-c2nc3cc(-c4ccccc4)ccc3s2)ccc2ccccc12.Oc1c(-c2nc3ccccc3s2)ccc2ccccc12.Oc1c(-c2nc3ccccc3s2)ccc2ccccc12.Oc1ccc2ccccc2c1-c1nc2ccccc2s1.Oc1ccc2ccccc2c1-c1nc2ccccc2s1.Oc1ccccc1-c1nc2cc(-c3ccccc3)ccc2s1.[Be+2].[Be+2].[Be+2].[Be+2].[O-]c1c(-c2[nH+]c3ccccc3s2)ccc2ccccc12.[O-]c1c(-c2[nH+]c3ccccc3s2)ccc2ccccc12.[O-]c1ccc2ccccc2c1-c1[nH+]c2ccccc2s1.[O-]c1ccc2ccccc2c1-c1[nH+]c2ccccc2s1.[Zn].[Zn].[Zn].[Zn].

What is the InChIKey of tetraberyllium;bis(1-(1,3-benzothiazol-3-ium-2-yl)naphthalen-2-olate);bis(2-(1,3-benzothiazol-3-ium-2-yl)naphthalen-1-olate);bis(1-(1,3-benzothiazol-2-yl)naphthalen-2-ol);bis(2-(1,3-benzothiazol-2-yl)naphthalen-1-ol);bis(2-(5,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)naphthalen-1-olate);bis(3-(5,6-dimethyl-1,3-benzothiazol-2-yl)naphthalen-2-ol);2-(5-methyl-1,3-benzothiazol-3-ium-2-yl)naphthalen-1-olate;2-(6-methyl-1,3-benzothiazol-3-ium-2-yl)naphthalen-1-olate;2-(5-phenyl-1,3-benzothiazol-2-yl)naphthalen-1-ol;2-(5-phenyl-1,3-benzothiazol-2-yl)phenol;zinc?

The InChIKey is CCLYYCUWFAMAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15NOS.4C19H15NOS.C19H13NOS.2C18H13NOS.8C17H11NOS.4Be.4Zn/c25-22-18-9-5-4-8-16(18)10-12-19(22)23-24-20-14-17(11-13-21(20)26-23)15-6-2-1-3-7-15;2*1-11-7-16-18(8-12(11)2)22-19(20-16)15-9-13-5-3-4-6-14(13)10-17(15)21;2*1-11-9-16-17(10-12(11)2)22-19(20-16)15-8-7-13-5-3-4-6-14(13)18(15)21;21-17-9-5-4-8-15(17)19-20-16-12-14(10-11-18(16)22-19)13-6-2-1-3-7-13;1-11-6-9-16-15(10-11)19-18(21-16)14-8-7-12-4-2-3-5-13(12)17(14)20;1-11-6-9-15-16(10-11)21-18(19-15)14-8-7-12-4-2-3-5-13(12)17(14)20;4*19-16-12-6-2-1-5-11(12)9-10-13(16)17-18-14-7-3-4-8-15(14)20-17;4*19-14-10-9-11-5-1-2-6-12(11)16(14)17-18-13-7-3-4-8-15(13)20-17;;;;;;;;/h1-14,25H;4*3-10,21H,1-2H3;1-12,21H;2*2-10,20H,1H3;8*1-10,19H;;;;;;;;/q;;;;;;;;;;;;;;;;4*+2;;;;.

What are the key properties of tetraberyllium;bis(1-(1,3-benzothiazol-3-ium-2-yl)naphthalen-2-olate);bis(2-(1,3-benzothiazol-3-ium-2-yl)naphthalen-1-olate);bis(1-(1,3-benzothiazol-2-yl)naphthalen-2-ol);bis(2-(1,3-benzothiazol-2-yl)naphthalen-1-ol);bis(2-(5,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)naphthalen-1-olate);bis(3-(5,6-dimethyl-1,3-benzothiazol-2-yl)naphthalen-2-ol);2-(5-methyl-1,3-benzothiazol-3-ium-2-yl)naphthalen-1-olate;2-(6-methyl-1,3-benzothiazol-3-ium-2-yl)naphthalen-1-olate;2-(5-phenyl-1,3-benzothiazol-2-yl)naphthalen-1-ol;2-(5-phenyl-1,3-benzothiazol-2-yl)phenol;zinc?

tetraberyllium;bis(1-(1,3-benzothiazol-3-ium-2-yl)naphthalen-2-olate);bis(2-(1,3-benzothiazol-3-ium-2-yl)naphthalen-1-olate);bis(1-(1,3-benzothiazol-2-yl)naphthalen-2-ol);bis(2-(1,3-benzothiazol-2-yl)naphthalen-1-ol);bis(2-(5,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)naphthalen-1-olate);bis(3-(5,6-dimethyl-1,3-benzothiazol-2-yl)naphthalen-2-ol);2-(5-methyl-1,3-benzothiazol-3-ium-2-yl)naphthalen-1-olate;2-(6-methyl-1,3-benzothiazol-3-ium-2-yl)naphthalen-1-olate;2-(5-phenyl-1,3-benzothiazol-2-yl)naphthalen-1-ol;2-(5-phenyl-1,3-benzothiazol-2-yl)phenol;zinc has a molecular weight of 4977.58 g/mol, XLogP of 71.18, 18 rotatable bonds, 8 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for tetraberyllium;bis(1-(1,3-benzothiazol-3-ium-2-yl)naphthalen-2-olate);bis(2-(1,3-benzothiazol-3-ium-2-yl)naphthalen-1-olate);bis(1-(1,3-benzothiazol-2-yl)naphthalen-2-ol);bis(2-(1,3-benzothiazol-2-yl)naphthalen-1-ol);bis(2-(5,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)naphthalen-1-olate);bis(3-(5,6-dimethyl-1,3-benzothiazol-2-yl)naphthalen-2-ol);2-(5-methyl-1,3-benzothiazol-3-ium-2-yl)naphthalen-1-olate;2-(6-methyl-1,3-benzothiazol-3-ium-2-yl)naphthalen-1-olate;2-(5-phenyl-1,3-benzothiazol-2-yl)naphthalen-1-ol;2-(5-phenyl-1,3-benzothiazol-2-yl)phenol;zinc is sourced from PubChem (CID 162273358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).