C252H281N7O2S2SeTe — CID 158612387
anthracene;9,10-bis(4-methylnaphthalen-1-yl)anthracene;1,4-bis(prop-1-enyl)benzene;1,4-bis[(E)-prop-1-enyl]benzene;1,3-dimethyl-2-benzofuran;1,3-dimethyl-2-benzothiophene;2,5-dimethylfuran;2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,5-dimethylpyridine;5,8-dimethylquinoxaline;2,5-dimethylselenophene;2,5-dimethyltellurophene;2,5-dimethylthiophene;9,10-diphenylanthracene;ethane;methane;9-methylanthracene;9-methyl-10-(10-methylanthracen-9-yl)anthracene;stilbene (PubChem CID 158612387) has the molecular formula C252H281N7O2S2SeTe and a molecular weight of 3710.76 g/mol. Its IUPAC name is anthracene;9,10-bis(4-methylnaphthalen-1-yl)anthracene;1,4-bis(prop-1-enyl)benzene;1,4-bis[(E)-prop-1-enyl]benzene;1,3-dimethyl-2-benzofuran;1,3-dimethyl-2-benzothiophene;2,5-dimethylfuran;2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,5-dimethylpyridine;5,8-dimethylquinoxaline;2,5-dimethylselenophene;2,5-dimethyltellurophene;2,5-dimethylthiophene;9,10-diphenylanthracene;ethane;methane;9-methylanthracene;9-methyl-10-(10-methylanthracen-9-yl)anthracene;stilbene.
| Compound Name | anthracene;9,10-bis(4-methylnaphthalen-1-yl)anthracene;1,4-bis(prop-1-enyl)benzene;1,4-bis[(E)-prop-1-enyl]benzene;1,3-dimethyl-2-benzofuran;1,3-dimethyl-2-benzothiophene;2,5-dimethylfuran;2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,5-dimethylpyridine;5,8-dimethylquinoxaline;2,5-dimethylselenophene;2,5-dimethyltellurophene;2,5-dimethylthiophene;9,10-diphenylanthracene;ethane;methane;9-methylanthracene;9-methyl-10-(10-methylanthracen-9-yl)anthracene;stilbene |
|---|---|
| PubChem CID | 158612387 |
| Molecular Formula | C252H281N7O2S2SeTe |
| Molecular Weight | 3710.76 g/mol |
| Exact Mass | 3710.98 |
| IUPAC Name | anthracene;9,10-bis(4-methylnaphthalen-1-yl)anthracene;1,4-bis(prop-1-enyl)benzene;1,4-bis[(E)-prop-1-enyl]benzene;1,3-dimethyl-2-benzofuran;1,3-dimethyl-2-benzothiophene;2,5-dimethylfuran;2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,5-dimethylpyridine;5,8-dimethylquinoxaline;2,5-dimethylselenophene;2,5-dimethyltellurophene;2,5-dimethylthiophene;9,10-diphenylanthracene;ethane;methane;9-methylanthracene;9-methyl-10-(10-methylanthracen-9-yl)anthracene;stilbene |
| SMILES | C.C.C.C.C.C.C(=Cc1ccccc1)c1ccccc1.C/C=C/c1ccc(/C=C/C)cc1.CC.CC.CC.CC.CC.CC.CC.CC=Cc1ccc(C=CC)cc1.Cc1c2ccccc2c(-c2c3ccccc3c(C)c3ccccc23)c2ccccc12.Cc1c2ccccc2cc2ccccc12.Cc1ccc(-c2c3ccccc3c(-c3ccc(C)c4ccccc34)c3ccccc23)c2ccccc12.Cc1ccc(C)[se]1.Cc1ccc(C)[te]1.Cc1ccc(C)c2nccnc12.Cc1ccc(C)nc1.Cc1ccc(C)nn1.Cc1ccc(C)o1.Cc1ccc(C)s1.Cc1cnc(C)cn1.Cc1oc(C)c2ccccc12.Cc1sc(C)c2ccccc12.c1ccc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)cc1.c1ccc2cc3ccccc3cc2c1 |
| InChI | InChI=1S/C36H26.C30H22.C26H18.C15H12.C14H10.C14H12.2C12H14.C10H10N2.C10H10O.C10H10S.C7H9N.2C6H8N2.C6H8O.C6H8S.C6H8Se.C6H8Te.7C2H6.6CH4/c1-23-19-21-33(27-13-5-3-11-25(23)27)35-29-15-7-9-17-31(29)36(32-18-10-8-16-30(32)35)34-22-20-24(2)26-12-4-6-14-28(26)34;1-19-21-11-3-7-15-25(21)29(26-16-8-4-12-22(19)26)30-27-17-9-5-13-23(27)20(2)24-14-6-10-18-28(24)30;1-3-11-19(12-4-1)25-21-15-7-9-17-23(21)26(20-13-5-2-6-14-20)24-18-10-8-16-22(24)25;1-11-14-8-4-2-6-12(14)10-13-7-3-5-9-15(11)13;1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;2*1-3-5-11-7-9-12(6-4-2)10-8-11;1-7-3-4-8(2)10-9(7)11-5-6-12-10;2*1-7-9-5-3-4-6-10(9)8(2)11-7;1-6-3-4-7(2)8-5-6;1-5-3-8-6(2)4-7-5;1-5-3-4-6(2)8-7-5;4*1-5-3-4-6(2)7-5;7*1-2;;;;;;/h3-22H,1-2H3;3-18H,1-2H3;1-18H;2-10H,1H3;1-10H;1-12H;2*3-10H,1-2H3;3-6H,1-2H3;2*3-6H,1-2H3;3-5H,1-2H3;2*3-4H,1-2H3;4*3-4H,1-2H3;7*1-2H3;6*1H4/b;;;;;;5-3+,6-4+;;;;;;;;;;;;;;;;;;;;;;;; |
| InChIKey | HWZMOOBTBUKTKN-YSVYQTQJSA-N |
| XLogP | 76.50 |
| TPSA | 116.51 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 11 |
| Rotatable Bonds | 11 |
| Heavy Atoms | 265 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3710.76 |
| LogP ≤ 5 | 76.50 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 11 |
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'} |
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