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;tris(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;2-(cyclopenten-1-yl)-5-fluoroquinoline;2-(cyclopenten-1-yl)quinoline;5-fluoro-2-phenylquinoline;tris(4-hydroxypent-3-en-2-one);tris(iridium);2-(1-phenylbenzimidazol-3-ium-2-yl)phenolate;bis(2-(1,3-thiazol-2-yl)phenol);zinc
C328H243Be2F2Ir3N22O24S9Zn5+ — CID 159924420
Data last refreshed: (MolForge compound catalog, from PubChem)
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;tris(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;2-(cyclopenten-1-yl)-5-fluoroquinoline;2-(cyclopenten-1-yl)quinoline;5-fluoro-2-phenylquinoline;tris(4-hydroxypent-3-en-2-one);tris(iridium);2-(1-phenylbenzimidazol-3-ium-2-yl)phenolate;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;tris(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;2-(cyclopenten-1-yl)-5-fluoroquinoline;2-(cyclopenten-1-yl)quinoline;5-fluoro-2-phenylquinoline;tris(4-hydroxypent-3-en-2-one);tris(iridium);2-(1-phenylbenzimidazol-3-ium-2-yl)phenolate;bis(2-(1,3-thiazol-2-yl)phenol);zinc (PubChem CID 159924420) has the molecular formula C328H243Be2F2Ir3N22O24S9Zn5+ and a molecular weight of 6124.91 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;tris(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;2-(cyclopenten-1-yl)-5-fluoroquinoline;2-(cyclopenten-1-yl)quinoline;5-fluoro-2-phenylquinoline;tris(4-hydroxypent-3-en-2-one);tris(iridium);2-(1-phenylbenzimidazol-3-ium-2-yl)phenolate;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;tris(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;2-(cyclopenten-1-yl)-5-fluoroquinoline;2-(cyclopenten-1-yl)quinoline;5-fluoro-2-phenylquinoline;tris(4-hydroxypent-3-en-2-one);tris(iridium);2-(1-phenylbenzimidazol-3-ium-2-yl)phenolate;bis(2-(1,3-thiazol-2-yl)phenol);zinc |
|---|---|
| PubChem CID | 159924420 |
| Molecular Formula | C328H243Be2F2Ir3N22O24S9Zn5+ |
| Molecular Weight | 6124.91 g/mol |
| Exact Mass | 6115.15 |
| 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;tris(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;2-(cyclopenten-1-yl)-5-fluoroquinoline;2-(cyclopenten-1-yl)quinoline;5-fluoro-2-phenylquinoline;tris(4-hydroxypent-3-en-2-one);tris(iridium);2-(1-phenylbenzimidazol-3-ium-2-yl)phenolate;bis(2-(1,3-thiazol-2-yl)phenol);zinc |
| SMILES | CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.Cc1cc(-n2c3ccccc3c3ccccc32)ccc1-c1ccc(-n2c3ccccc3c3ccccc32)cc1C.Fc1cccc2nc(-c3[c-]cccc3)ccc12.Fc1cccc2nc(C3=[C-]CCC3)ccc12.Oc1ccc2ccccc2c1-c1nc2ccccc2s1.Oc1ccc2ccccc2c1-c1nc2ccccc2s1.Oc1ccccc1-c1nc2ccccc2o1.Oc1ccccc1-c1nc2ccccc2o1.Oc1ccccc1-c1nc2ccccc2o1.Oc1ccccc1-c1nc2ccccc2s1.Oc1ccccc1-c1nc2ccccc2s1.Oc1ccccc1-c1nc2ccccc2s1.Oc1ccccc1-c1nccs1.Oc1ccccc1-c1nccs1.[Be+2].[Be+2].[C-]1=C(c2ccc3ccccc3n2)CCC1.[Ir].[Ir].[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].c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1 |
| InChI | InChI=1S/C38H28N2.C36H24N2.C19H14N2O.4C17H11NOS.C15H9FN.C14H11FN.C14H12N.4C13H9NO2.3C13H9NOS.2C9H7NOS.3C5H8O2.2Be.3Ir.5Zn/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;15-12-6-3-7-14-11(12)8-9-13(16-14)10-4-1-2-5-10;1-2-6-11(5-1)14-10-9-12-7-3-4-8-13(12)15-14;7*15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16-13;2*11-8-4-2-1-3-7(8)9-10-5-6-12-9;3*1-4(6)3-5(2)7;;;;;;;;;;/h3-24H,1-2H3;1-24H;1-13,22H;4*1-10,19H;1-5,7-10H;3,6-9H,1-2,4H2;3-4,7-10H,1-2,5H2;7*1-8,15H;2*1-6,11H;3*3,6H,1-2H3;;;;;;;;;;/q;;;;;;;3*-1;;;;;;;;;;;;;2*+2;;;;;;;; |
| InChIKey | BRIIBRARJKBIPA-UHFFFAOYSA-N |
| XLogP | 80.91 |
| TPSA | 707.78 Ų |
| H-Bond Donors | 13 |
| H-Bond Acceptors | 51 |
| Rotatable Bonds | 27 |
| Heavy Atoms | 395 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 6124.91 |
| LogP ≤ 5 | 80.91 |
| H-Bond Donors ≤ 5 | 13 |
| H-Bond Acceptors ≤ 10 | 51 |
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Sources
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