C284H192N18O4S4 — CID 159696743
2-[7-(1,3-benzothiazol-2-yl)-9,10-diphenylanthracen-2-yl]-1,3-benzothiazole;5-tert-butyl-3-[7-(5-tert-butyl-1,2-oxazol-3-yl)-9,10-diphenylanthracen-2-yl]-1,2-oxazole;3-[7-(6,9-diphenylcarbazol-3-yl)-9,10-diphenylanthracen-2-yl]-6,9-diphenylcarbazole;4-[9,10-diphenyl-7-(3H-pyrazol-4-yl)anthracen-2-yl]-3H-pyrazole;5-(9,10-diphenyl-7-pyrimidin-5-ylanthracen-2-yl)pyrimidine;2-[9,10-diphenyl-7-(1,3-thiazol-2-yl)anthracen-2-yl]-1,3-thiazole;5-[7-(1,2-oxazol-5-yl)-9,10-diphenylanthracen-2-yl]-1,2-oxazole (PubChem CID 159696743) has the molecular formula C284H192N18O4S4 and a molecular weight of 4049.05 g/mol. Its IUPAC name is 2-[7-(1,3-benzothiazol-2-yl)-9,10-diphenylanthracen-2-yl]-1,3-benzothiazole;5-tert-butyl-3-[7-(5-tert-butyl-1,2-oxazol-3-yl)-9,10-diphenylanthracen-2-yl]-1,2-oxazole;3-[7-(6,9-diphenylcarbazol-3-yl)-9,10-diphenylanthracen-2-yl]-6,9-diphenylcarbazole;4-[9,10-diphenyl-7-(3H-pyrazol-4-yl)anthracen-2-yl]-3H-pyrazole;5-(9,10-diphenyl-7-pyrimidin-5-ylanthracen-2-yl)pyrimidine;2-[9,10-diphenyl-7-(1,3-thiazol-2-yl)anthracen-2-yl]-1,3-thiazole;5-[7-(1,2-oxazol-5-yl)-9,10-diphenylanthracen-2-yl]-1,2-oxazole.
| Compound Name | 2-[7-(1,3-benzothiazol-2-yl)-9,10-diphenylanthracen-2-yl]-1,3-benzothiazole;5-tert-butyl-3-[7-(5-tert-butyl-1,2-oxazol-3-yl)-9,10-diphenylanthracen-2-yl]-1,2-oxazole;3-[7-(6,9-diphenylcarbazol-3-yl)-9,10-diphenylanthracen-2-yl]-6,9-diphenylcarbazole;4-[9,10-diphenyl-7-(3H-pyrazol-4-yl)anthracen-2-yl]-3H-pyrazole;5-(9,10-diphenyl-7-pyrimidin-5-ylanthracen-2-yl)pyrimidine;2-[9,10-diphenyl-7-(1,3-thiazol-2-yl)anthracen-2-yl]-1,3-thiazole;5-[7-(1,2-oxazol-5-yl)-9,10-diphenylanthracen-2-yl]-1,2-oxazole |
|---|---|
| PubChem CID | 159696743 |
| Molecular Formula | C284H192N18O4S4 |
| Molecular Weight | 4049.05 g/mol |
| Exact Mass | 4045.43 |
| IUPAC Name | 2-[7-(1,3-benzothiazol-2-yl)-9,10-diphenylanthracen-2-yl]-1,3-benzothiazole;5-tert-butyl-3-[7-(5-tert-butyl-1,2-oxazol-3-yl)-9,10-diphenylanthracen-2-yl]-1,2-oxazole;3-[7-(6,9-diphenylcarbazol-3-yl)-9,10-diphenylanthracen-2-yl]-6,9-diphenylcarbazole;4-[9,10-diphenyl-7-(3H-pyrazol-4-yl)anthracen-2-yl]-3H-pyrazole;5-(9,10-diphenyl-7-pyrimidin-5-ylanthracen-2-yl)pyrimidine;2-[9,10-diphenyl-7-(1,3-thiazol-2-yl)anthracen-2-yl]-1,3-thiazole;5-[7-(1,2-oxazol-5-yl)-9,10-diphenylanthracen-2-yl]-1,2-oxazole |
| SMILES | C1=C(c2ccc3c(-c4ccccc4)c4ccc(C5=CN=NC5)cc4c(-c4ccccc4)c3c2)CN=N1.CC(C)(C)c1cc(-c2ccc3c(-c4ccccc4)c4ccc(-c5cc(C(C)(C)C)on5)cc4c(-c4ccccc4)c3c2)no1.c1ccc(-c2c3ccc(-c4ccno4)cc3c(-c3ccccc3)c3cc(-c4ccno4)ccc23)cc1.c1ccc(-c2c3ccc(-c4cncnc4)cc3c(-c3ccccc3)c3cc(-c4cncnc4)ccc23)cc1.c1ccc(-c2c3ccc(-c4nc5ccccc5s4)cc3c(-c3ccccc3)c3cc(-c4nc5ccccc5s4)ccc23)cc1.c1ccc(-c2c3ccc(-c4nccs4)cc3c(-c3ccccc3)c3cc(-c4nccs4)ccc23)cc1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccc5c(-c6ccccc6)c6ccc(-c7ccc8c(c7)c7cc(-c9ccccc9)ccc7n8-c7ccccc7)cc6c(-c6ccccc6)c5c4)ccc2n3-c2ccccc2)cc1 |
| InChI | InChI=1S/C74H48N2.C40H36N2O2.C40H24N2S2.C34H22N4.C32H22N4.C32H20N2O2.C32H20N2S2/c1-7-19-49(20-8-1)53-33-39-69-63(43-53)65-45-57(35-41-71(65)75(69)59-27-15-5-16-28-59)55-31-37-61-67(47-55)74(52-25-13-4-14-26-52)68-48-56(32-38-62(68)73(61)51-23-11-3-12-24-51)58-36-42-72-66(46-58)64-44-54(50-21-9-2-10-22-50)34-40-70(64)76(72)60-29-17-6-18-30-60;1-39(2,3)35-23-33(41-43-35)27-17-19-29-31(21-27)38(26-15-11-8-12-16-26)32-22-28(34-24-36(44-42-34)40(4,5)6)18-20-30(32)37(29)25-13-9-7-10-14-25;1-3-11-25(12-4-1)37-29-21-19-27(39-41-33-15-7-9-17-35(33)43-39)23-31(29)38(26-13-5-2-6-14-26)32-24-28(20-22-30(32)37)40-42-34-16-8-10-18-36(34)44-40;1-3-7-23(8-4-1)33-29-13-11-25(27-17-35-21-36-18-27)15-31(29)34(24-9-5-2-6-10-24)32-16-26(12-14-30(32)33)28-19-37-22-38-20-28;1-3-7-21(8-4-1)31-27-13-11-23(25-17-33-34-18-25)15-29(27)32(22-9-5-2-6-10-22)30-16-24(12-14-28(30)31)26-19-35-36-20-26;1-3-7-21(8-4-1)31-25-13-11-23(29-15-17-33-35-29)19-27(25)32(22-9-5-2-6-10-22)28-20-24(12-14-26(28)31)30-16-18-34-36-30;1-3-7-21(8-4-1)29-25-13-11-23(31-33-15-17-35-31)19-27(25)30(22-9-5-2-6-10-22)28-20-24(12-14-26(28)29)32-34-16-18-36-32/h1-48H;7-24H,1-6H3;1-24H;1-22H;1-17,19H,18,20H2;2*1-20H |
| InChIKey | MXCKIBKLBMNANA-UHFFFAOYSA-N |
| XLogP | 78.69 |
| TPSA | 266.54 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 26 |
| Rotatable Bonds | 32 |
| Heavy Atoms | 310 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4049.05 |
| LogP ≤ 5 | 78.69 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 26 |