C339H220BeN10O3S3+2 — CID 157273323
beryllium;bis(3-(1,3-benzothiazol-3-ium-2-yl)naphthalen-2-olate);9-[4-[5-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]phenyl]phenanthrene;2,4-diphenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2,4-diphenyl-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine;9-(4-methylphenyl)-9-(9-phenylcarbazol-3-yl)fluorene-3-carbonitrile;9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenanthrene;2-phenyl-7-(3-phenylphenyl)triphenylene;2-triphenylen-2-yldibenzofuran;4-(3-triphenylen-2-ylphenyl)dibenzothiophene (PubChem CID 157273323) has the molecular formula C339H220BeN10O3S3+2 and a molecular weight of 4586.77 g/mol. Its IUPAC name is beryllium;bis(3-(1,3-benzothiazol-3-ium-2-yl)naphthalen-2-olate);9-[4-[5-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]phenyl]phenanthrene;2,4-diphenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2,4-diphenyl-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine;9-(4-methylphenyl)-9-(9-phenylcarbazol-3-yl)fluorene-3-carbonitrile;9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenanthrene;2-phenyl-7-(3-phenylphenyl)triphenylene;2-triphenylen-2-yldibenzofuran;4-(3-triphenylen-2-ylphenyl)dibenzothiophene.
| Compound Name | beryllium;bis(3-(1,3-benzothiazol-3-ium-2-yl)naphthalen-2-olate);9-[4-[5-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]phenyl]phenanthrene;2,4-diphenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2,4-diphenyl-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine;9-(4-methylphenyl)-9-(9-phenylcarbazol-3-yl)fluorene-3-carbonitrile;9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenanthrene;2-phenyl-7-(3-phenylphenyl)triphenylene;2-triphenylen-2-yldibenzofuran;4-(3-triphenylen-2-ylphenyl)dibenzothiophene |
|---|---|
| PubChem CID | 157273323 |
| Molecular Formula | C339H220BeN10O3S3+2 |
| Molecular Weight | 4586.77 g/mol |
| Exact Mass | 4582.66 |
| IUPAC Name | beryllium;bis(3-(1,3-benzothiazol-3-ium-2-yl)naphthalen-2-olate);9-[4-[5-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]phenyl]phenanthrene;2,4-diphenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2,4-diphenyl-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine;9-(4-methylphenyl)-9-(9-phenylcarbazol-3-yl)fluorene-3-carbonitrile;9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenanthrene;2-phenyl-7-(3-phenylphenyl)triphenylene;2-triphenylen-2-yldibenzofuran;4-(3-triphenylen-2-ylphenyl)dibenzothiophene |
| SMILES | CC1(C)c2ccccc2-c2ccc(-c3cccc4c(-c5ccc(-c6cc7ccccc7c7ccccc67)cc5)cccc34)cc21.Cc1ccc(C2(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3ccccc3-c3cc(C#N)ccc32)cc1.[Be+2].[O-]c1cc2ccccc2cc1-c1[nH+]c2ccccc2s1.[O-]c1cc2ccccc2cc1-c1[nH+]c2ccccc2s1.c1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc(-c2cccc3c2sc2ccccc23)c1.c1cc(-c2ccc3cc(-c4ccc5ccccc5c4)ccc3c2)cc(-c2cc3ccccc3c3ccccc23)c1.c1ccc(-c2cccc(-c3ccc4c5ccc(-c6ccccc6)cc5c5ccccc5c4c3)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5c6ccccc6c6ccccc6c5c4)c3)n2)cc1.c1ccc2c(c1)oc1ccc(-c3ccc4c5ccccc5c5ccccc5c4c3)cc12 |
| InChI | InChI=1S/C45H32.C40H25N3.C40H26.C39H25N3.C39H26N2.C36H22S.C36H24.C30H18O.2C17H11NOS.Be/c1-45(2)43-20-8-7-15-40(43)41-26-25-32(28-44(41)45)35-17-10-18-37-33(16-9-19-38(35)37)29-21-23-30(24-22-29)42-27-31-11-3-4-12-34(31)36-13-5-6-14-39(36)42;1-3-13-26(14-4-1)37-41-38(27-15-5-2-6-16-27)43-39(42-37)28-23-24-32-31-19-9-12-22-35(31)40(36(32)25-28)33-20-10-7-17-29(33)30-18-8-11-21-34(30)40;1-2-9-28-22-31(17-16-27(28)8-1)33-21-20-32-23-30(18-19-34(32)24-33)29-11-7-12-35(25-29)40-26-36-10-3-4-13-37(36)38-14-5-6-15-39(38)40;1-3-12-26(13-4-1)37-40-38(27-14-5-2-6-15-27)42-39(41-37)30-17-11-16-28(24-30)29-22-23-35-33-20-8-7-18-31(33)32-19-9-10-21-34(32)36(35)25-29;1-26-15-18-28(19-16-26)39(35-13-7-5-11-31(35)33-23-27(25-40)17-21-36(33)39)29-20-22-38-34(24-29)32-12-6-8-14-37(32)41(38)30-9-3-2-4-10-30;1-2-13-29-27(11-1)28-12-3-4-14-30(28)34-22-24(19-20-31(29)34)23-9-7-10-25(21-23)26-16-8-17-33-32-15-5-6-18-35(32)37-36(26)33;1-3-10-25(11-4-1)27-14-9-15-28(22-27)30-19-21-34-33-20-18-29(26-12-5-2-6-13-26)23-35(33)31-16-7-8-17-32(31)36(34)24-30;1-2-9-23-21(7-1)22-8-3-4-10-24(22)27-17-19(13-15-25(23)27)20-14-16-30-28(18-20)26-11-5-6-12-29(26)31-30;2*19-15-10-12-6-2-1-5-11(12)9-13(15)17-18-14-7-3-4-8-16(14)20-17;/h3-28H,1-2H3;1-25H;1-26H;1-25H;2-24H,1H3;1-22H;1-24H;1-18H;2*1-10,19H;/q;;;;;;;;;;+2 |
| InChIKey | AYUHEWHZNSCXGC-UHFFFAOYSA-N |
| XLogP | 88.84 |
| TPSA | 193.60 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 14 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 356 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4586.77 |
| LogP ≤ 5 | 88.84 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 14 |