diberyllium;bis(1-(1,3-benzothiazol-3-ium-2-yl)naphthalen-2-olate);bis(1-(1,3-benzothiazol-2-yl)naphthalen-2-ol);tris(2-(1,3-benzothiazol-2-yl)phenol);2-(1,3-benzoxazol-3-ium-2-yl)phenolate;tetrakis(2-(1,3-benzoxazol-2-yl)phenol);9-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;5-fluoro-2-phenylquinoline;4-hydroxypent-3-en-2-one;iridium;2-(1-phenylbenzimidazol-3-ium-2-yl)phenolate;2-pyridin-2-ylphenol;bis(2-(1,3-thiazol-2-yl)phenol);zinc

C314H222Be2FIrN22O23S9Zn6+3 — CID 157336382

About diberyllium;bis(1-(1,3-benzothiazol-3-ium-2-yl)naphthalen-2-olate);bis(1-(1,3-benzothiazol-2-yl)naphthalen-2-ol);tris(2-(1,3-benzothiazol-2-yl)phenol);2-(1,3-benzoxazol-3-ium-2-yl)phenolate;tetrakis(2-(1,3-benzoxazol-2-yl)phenol);9-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;5-fluoro-2-phenylquinoline;4-hydroxypent-3-en-2-one;iridium;2-(1-phenylbenzimidazol-3-ium-2-yl)phenolate;2-pyridin-2-ylphenol;bis(2-(1,3-thiazol-2-yl)phenol);zinc

diberyllium;bis(1-(1,3-benzothiazol-3-ium-2-yl)naphthalen-2-olate);bis(1-(1,3-benzothiazol-2-yl)naphthalen-2-ol);tris(2-(1,3-benzothiazol-2-yl)phenol);2-(1,3-benzoxazol-3-ium-2-yl)phenolate;tetrakis(2-(1,3-benzoxazol-2-yl)phenol);9-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;5-fluoro-2-phenylquinoline;4-hydroxypent-3-en-2-one;iridium;2-(1-phenylbenzimidazol-3-ium-2-yl)phenolate;2-pyridin-2-ylphenol;bis(2-(1,3-thiazol-2-yl)phenol);zinc (PubChem CID 157336382) has the molecular formula C314H222Be2FIrN22O23S9Zn6+3 and a molecular weight of 5581.54 g/mol. Its IUPAC name is diberyllium;bis(1-(1,3-benzothiazol-3-ium-2-yl)naphthalen-2-olate);bis(1-(1,3-benzothiazol-2-yl)naphthalen-2-ol);tris(2-(1,3-benzothiazol-2-yl)phenol);2-(1,3-benzoxazol-3-ium-2-yl)phenolate;tetrakis(2-(1,3-benzoxazol-2-yl)phenol);9-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;5-fluoro-2-phenylquinoline;4-hydroxypent-3-en-2-one;iridium;2-(1-phenylbenzimidazol-3-ium-2-yl)phenolate;2-pyridin-2-ylphenol;bis(2-(1,3-thiazol-2-yl)phenol);zinc.

Molecular Properties

• Compound Name: diberyllium;bis(1-(1,3-benzothiazol-3-ium-2-yl)naphthalen-2-olate);bis(1-(1,3-benzothiazol-2-yl)naphthalen-2-ol);tris(2-(1,3-benzothiazol-2-yl)phenol);2-(1,3-benzoxazol-3-ium-2-yl)phenolate;tetrakis(2-(1,3-benzoxazol-2-yl)phenol);9-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;5-fluoro-2-phenylquinoline;4-hydroxypent-3-en-2-one;iridium;2-(1-phenylbenzimidazol-3-ium-2-yl)phenolate;2-pyridin-2-ylphenol;bis(2-(1,3-thiazol-2-yl)phenol);zinc
• PubChem CID: 157336382
• Molecular Formula: C314H222Be2FIrN22O23S9Zn6+3
• Molecular Weight: 5581.54 g/mol
• Exact Mass: 5569.00
• IUPAC Name: diberyllium;bis(1-(1,3-benzothiazol-3-ium-2-yl)naphthalen-2-olate);bis(1-(1,3-benzothiazol-2-yl)naphthalen-2-ol);tris(2-(1,3-benzothiazol-2-yl)phenol);2-(1,3-benzoxazol-3-ium-2-yl)phenolate;tetrakis(2-(1,3-benzoxazol-2-yl)phenol);9-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;5-fluoro-2-phenylquinoline;4-hydroxypent-3-en-2-one;iridium;2-(1-phenylbenzimidazol-3-ium-2-yl)phenolate;2-pyridin-2-ylphenol;bis(2-(1,3-thiazol-2-yl)phenol);zinc
• SMILES: CC(=O)C=C(C)O.Cc1cc(-n2c3ccccc3c3ccccc32)ccc1-c1ccc(-n2c3ccccc3c3ccccc32)cc1C.Fc1cccc2nc(-c3[c-]cccc3)ccc12.Oc1ccc2ccccc2c1-c1nc2ccccc2s1.Oc1ccc2ccccc2c1-c1nc2ccccc2s1.Oc1ccccc1-c1ccccn1.Oc1ccccc1-c1nc2ccccc2o1.Oc1ccccc1-c1nc2ccccc2o1.Oc1ccccc1-c1nc2ccccc2o1.Oc1ccccc1-c1nc2ccccc2o1.Oc1ccccc1-c1nc2ccccc2s1.Oc1ccccc1-c1nc2ccccc2s1.Oc1ccccc1-c1nc2ccccc2s1.Oc1ccccc1-c1nccs1.Oc1ccccc1-c1nccs1.[Be+2].[Be+2].[Ir].[O-]c1ccc2ccccc2c1-c1[nH+]c2ccccc2s1.[O-]c1ccc2ccccc2c1-c1[nH+]c2ccccc2s1.[O-]c1ccccc1-c1[nH+]c2ccccc2n1-c1ccccc1.[O-]c1ccccc1-c1[nH+]c2ccccc2o1.[Zn].[Zn].[Zn].[Zn].[Zn].[Zn].c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1
• InChI: InChI=1S/C38H28N2.C36H24N2.C19H14N2O.4C17H11NOS.C15H9FN.5C13H9NO2.3C13H9NOS.C11H9NO.2C9H7NOS.C5H8O2.2Be.Ir.6Zn/c1-25-23-27(39-35-15-7-3-11-31(35)32-12-4-8-16-36(32)39)19-21-29(25)30-22-20-28(24-26(30)2)40-37-17-9-5-13-33(37)34-14-6-10-18-38(34)40;1-5-13-33-29(9-1)30-10-2-6-14-34(30)37(33)27-21-17-25(18-22-27)26-19-23-28(24-20-26)38-35-15-7-3-11-31(35)32-12-4-8-16-36(32)38;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;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;16-13-7-4-8-15-12(13)9-10-14(17-15)11-5-2-1-3-6-11;8*15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16-13;13-11-7-2-1-5-9(11)10-6-3-4-8-12-10;2*11-8-4-2-1-3-7(8)9-10-5-6-12-9;1-4(6)3-5(2)7;;;;;;;;;/h3-24H,1-2H3;1-24H;1-13,22H;4*1-10,19H;1-5,7-10H;8*1-8,15H;1-8,13H;2*1-6,11H;3,6H,1-2H3;;;;;;;;;/q;;;;;;;-1;;;;;;;;;;;;;2*+2
• InChIKey: HIFOTWDZYVESQS-UHFFFAOYSA-N
• XLogP: 77.14
• TPSA: 686.78 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 50
• Rotatable Bonds: 25
• Heavy Atoms: 378
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	5581.54
LogP ≤ 5	77.14
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	50

Frequently Asked Questions

What is the IUPAC name of diberyllium;bis(1-(1,3-benzothiazol-3-ium-2-yl)naphthalen-2-olate);bis(1-(1,3-benzothiazol-2-yl)naphthalen-2-ol);tris(2-(1,3-benzothiazol-2-yl)phenol);2-(1,3-benzoxazol-3-ium-2-yl)phenolate;tetrakis(2-(1,3-benzoxazol-2-yl)phenol);9-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;5-fluoro-2-phenylquinoline;4-hydroxypent-3-en-2-one;iridium;2-(1-phenylbenzimidazol-3-ium-2-yl)phenolate;2-pyridin-2-ylphenol;bis(2-(1,3-thiazol-2-yl)phenol);zinc?

The IUPAC name of diberyllium;bis(1-(1,3-benzothiazol-3-ium-2-yl)naphthalen-2-olate);bis(1-(1,3-benzothiazol-2-yl)naphthalen-2-ol);tris(2-(1,3-benzothiazol-2-yl)phenol);2-(1,3-benzoxazol-3-ium-2-yl)phenolate;tetrakis(2-(1,3-benzoxazol-2-yl)phenol);9-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;5-fluoro-2-phenylquinoline;4-hydroxypent-3-en-2-one;iridium;2-(1-phenylbenzimidazol-3-ium-2-yl)phenolate;2-pyridin-2-ylphenol;bis(2-(1,3-thiazol-2-yl)phenol);zinc (CID 157336382) is diberyllium;bis(1-(1,3-benzothiazol-3-ium-2-yl)naphthalen-2-olate);bis(1-(1,3-benzothiazol-2-yl)naphthalen-2-ol);tris(2-(1,3-benzothiazol-2-yl)phenol);2-(1,3-benzoxazol-3-ium-2-yl)phenolate;tetrakis(2-(1,3-benzoxazol-2-yl)phenol);9-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;5-fluoro-2-phenylquinoline;4-hydroxypent-3-en-2-one;iridium;2-(1-phenylbenzimidazol-3-ium-2-yl)phenolate;2-pyridin-2-ylphenol;bis(2-(1,3-thiazol-2-yl)phenol);zinc.

What is the SMILES notation for diberyllium;bis(1-(1,3-benzothiazol-3-ium-2-yl)naphthalen-2-olate);bis(1-(1,3-benzothiazol-2-yl)naphthalen-2-ol);tris(2-(1,3-benzothiazol-2-yl)phenol);2-(1,3-benzoxazol-3-ium-2-yl)phenolate;tetrakis(2-(1,3-benzoxazol-2-yl)phenol);9-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;5-fluoro-2-phenylquinoline;4-hydroxypent-3-en-2-one;iridium;2-(1-phenylbenzimidazol-3-ium-2-yl)phenolate;2-pyridin-2-ylphenol;bis(2-(1,3-thiazol-2-yl)phenol);zinc?

The canonical SMILES for diberyllium;bis(1-(1,3-benzothiazol-3-ium-2-yl)naphthalen-2-olate);bis(1-(1,3-benzothiazol-2-yl)naphthalen-2-ol);tris(2-(1,3-benzothiazol-2-yl)phenol);2-(1,3-benzoxazol-3-ium-2-yl)phenolate;tetrakis(2-(1,3-benzoxazol-2-yl)phenol);9-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;5-fluoro-2-phenylquinoline;4-hydroxypent-3-en-2-one;iridium;2-(1-phenylbenzimidazol-3-ium-2-yl)phenolate;2-pyridin-2-ylphenol;bis(2-(1,3-thiazol-2-yl)phenol);zinc is CC(=O)C=C(C)O.Cc1cc(-n2c3ccccc3c3ccccc32)ccc1-c1ccc(-n2c3ccccc3c3ccccc32)cc1C.Fc1cccc2nc(-c3[c-]cccc3)ccc12.Oc1ccc2ccccc2c1-c1nc2ccccc2s1.Oc1ccc2ccccc2c1-c1nc2ccccc2s1.Oc1ccccc1-c1ccccn1.Oc1ccccc1-c1nc2ccccc2o1.Oc1ccccc1-c1nc2ccccc2o1.Oc1ccccc1-c1nc2ccccc2o1.Oc1ccccc1-c1nc2ccccc2o1.Oc1ccccc1-c1nc2ccccc2s1.Oc1ccccc1-c1nc2ccccc2s1.Oc1ccccc1-c1nc2ccccc2s1.Oc1ccccc1-c1nccs1.Oc1ccccc1-c1nccs1.[Be+2].[Be+2].[Ir].[O-]c1ccc2ccccc2c1-c1[nH+]c2ccccc2s1.[O-]c1ccc2ccccc2c1-c1[nH+]c2ccccc2s1.[O-]c1ccccc1-c1[nH+]c2ccccc2n1-c1ccccc1.[O-]c1ccccc1-c1[nH+]c2ccccc2o1.[Zn].[Zn].[Zn].[Zn].[Zn].[Zn].c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.

What is the InChIKey of diberyllium;bis(1-(1,3-benzothiazol-3-ium-2-yl)naphthalen-2-olate);bis(1-(1,3-benzothiazol-2-yl)naphthalen-2-ol);tris(2-(1,3-benzothiazol-2-yl)phenol);2-(1,3-benzoxazol-3-ium-2-yl)phenolate;tetrakis(2-(1,3-benzoxazol-2-yl)phenol);9-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;5-fluoro-2-phenylquinoline;4-hydroxypent-3-en-2-one;iridium;2-(1-phenylbenzimidazol-3-ium-2-yl)phenolate;2-pyridin-2-ylphenol;bis(2-(1,3-thiazol-2-yl)phenol);zinc?

The InChIKey is HIFOTWDZYVESQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H28N2.C36H24N2.C19H14N2O.4C17H11NOS.C15H9FN.5C13H9NO2.3C13H9NOS.C11H9NO.2C9H7NOS.C5H8O2.2Be.Ir.6Zn/c1-25-23-27(39-35-15-7-3-11-31(35)32-12-4-8-16-36(32)39)19-21-29(25)30-22-20-28(24-26(30)2)40-37-17-9-5-13-33(37)34-14-6-10-18-38(34)40;1-5-13-33-29(9-1)30-10-2-6-14-34(30)37(33)27-21-17-25(18-22-27)26-19-23-28(24-20-26)38-35-15-7-3-11-31(35)32-12-4-8-16-36(32)38;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;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;16-13-7-4-8-15-12(13)9-10-14(17-15)11-5-2-1-3-6-11;8*15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16-13;13-11-7-2-1-5-9(11)10-6-3-4-8-12-10;2*11-8-4-2-1-3-7(8)9-10-5-6-12-9;1-4(6)3-5(2)7;;;;;;;;;/h3-24H,1-2H3;1-24H;1-13,22H;4*1-10,19H;1-5,7-10H;8*1-8,15H;1-8,13H;2*1-6,11H;3,6H,1-2H3;;;;;;;;;/q;;;;;;;-1;;;;;;;;;;;;;2*+2;;;;;;;.

What are the key properties of diberyllium;bis(1-(1,3-benzothiazol-3-ium-2-yl)naphthalen-2-olate);bis(1-(1,3-benzothiazol-2-yl)naphthalen-2-ol);tris(2-(1,3-benzothiazol-2-yl)phenol);2-(1,3-benzoxazol-3-ium-2-yl)phenolate;tetrakis(2-(1,3-benzoxazol-2-yl)phenol);9-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;5-fluoro-2-phenylquinoline;4-hydroxypent-3-en-2-one;iridium;2-(1-phenylbenzimidazol-3-ium-2-yl)phenolate;2-pyridin-2-ylphenol;bis(2-(1,3-thiazol-2-yl)phenol);zinc?

diberyllium;bis(1-(1,3-benzothiazol-3-ium-2-yl)naphthalen-2-olate);bis(1-(1,3-benzothiazol-2-yl)naphthalen-2-ol);tris(2-(1,3-benzothiazol-2-yl)phenol);2-(1,3-benzoxazol-3-ium-2-yl)phenolate;tetrakis(2-(1,3-benzoxazol-2-yl)phenol);9-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;5-fluoro-2-phenylquinoline;4-hydroxypent-3-en-2-one;iridium;2-(1-phenylbenzimidazol-3-ium-2-yl)phenolate;2-pyridin-2-ylphenol;bis(2-(1,3-thiazol-2-yl)phenol);zinc has a molecular weight of 5581.54 g/mol, XLogP of 77.14, 25 rotatable bonds, 13 hydrogen bond donors, and 50 hydrogen bond acceptors.

Where does this data come from?

All data for diberyllium;bis(1-(1,3-benzothiazol-3-ium-2-yl)naphthalen-2-olate);bis(1-(1,3-benzothiazol-2-yl)naphthalen-2-ol);tris(2-(1,3-benzothiazol-2-yl)phenol);2-(1,3-benzoxazol-3-ium-2-yl)phenolate;tetrakis(2-(1,3-benzoxazol-2-yl)phenol);9-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;5-fluoro-2-phenylquinoline;4-hydroxypent-3-en-2-one;iridium;2-(1-phenylbenzimidazol-3-ium-2-yl)phenolate;2-pyridin-2-ylphenol;bis(2-(1,3-thiazol-2-yl)phenol);zinc is sourced from PubChem (CID 157336382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).