C199H148N14OS3 — CID 160784283
4,7-bis(3-phenylphenyl)-2,1,3-benzothiadiazole;2,5-bis(3-phenylphenyl)pyrazine;5-(4-tert-butylphenyl)-1-phenyl-2-(4-phenylphenyl)imidazole;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-thiadiazole;2,5-dinaphthalen-1-yl-1,3,4-oxadiazole;5-naphthalen-1-yl-2-(4-phenylphenyl)-1,3-thiazole;2,4,6-tris(3-phenylphenyl)-1,3,5-triazine (PubChem CID 160784283) has the molecular formula C199H148N14OS3 and a molecular weight of 2847.67 g/mol. Its IUPAC name is 4,7-bis(3-phenylphenyl)-2,1,3-benzothiadiazole;2,5-bis(3-phenylphenyl)pyrazine;5-(4-tert-butylphenyl)-1-phenyl-2-(4-phenylphenyl)imidazole;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-thiadiazole;2,5-dinaphthalen-1-yl-1,3,4-oxadiazole;5-naphthalen-1-yl-2-(4-phenylphenyl)-1,3-thiazole;2,4,6-tris(3-phenylphenyl)-1,3,5-triazine.
| Compound Name | 4,7-bis(3-phenylphenyl)-2,1,3-benzothiadiazole;2,5-bis(3-phenylphenyl)pyrazine;5-(4-tert-butylphenyl)-1-phenyl-2-(4-phenylphenyl)imidazole;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-thiadiazole;2,5-dinaphthalen-1-yl-1,3,4-oxadiazole;5-naphthalen-1-yl-2-(4-phenylphenyl)-1,3-thiazole;2,4,6-tris(3-phenylphenyl)-1,3,5-triazine |
|---|---|
| PubChem CID | 160784283 |
| Molecular Formula | C199H148N14OS3 |
| Molecular Weight | 2847.67 g/mol |
| Exact Mass | 2845.11 |
| IUPAC Name | 4,7-bis(3-phenylphenyl)-2,1,3-benzothiadiazole;2,5-bis(3-phenylphenyl)pyrazine;5-(4-tert-butylphenyl)-1-phenyl-2-(4-phenylphenyl)imidazole;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-thiadiazole;2,5-dinaphthalen-1-yl-1,3,4-oxadiazole;5-naphthalen-1-yl-2-(4-phenylphenyl)-1,3-thiazole;2,4,6-tris(3-phenylphenyl)-1,3,5-triazine |
| SMILES | CC(C)(C)c1ccc(-c2cnc(-c3ccc(-c4ccccc4)cc3)n2-c2ccccc2)cc1.CC(C)(C)c1ccc(-c2nnc(-c3ccc(-c4ccccc4)cc3)s2)cc1.c1ccc(-c2ccc(-c3ncc(-c4cccc5ccccc45)s3)cc2)cc1.c1ccc(-c2cccc(-c3ccc(-c4cccc(-c5ccccc5)c4)c4nsnc34)c2)cc1.c1ccc(-c2cccc(-c3cnc(-c4cccc(-c5ccccc5)c4)cn3)c2)cc1.c1ccc(-c2cccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4cccc(-c5ccccc5)c4)n3)c2)cc1.c1ccc2c(-c3nnc(-c4cccc5ccccc45)o3)cccc2c1 |
| InChI | InChI=1S/C39H27N3.C31H28N2.C30H20N2S.C28H20N2.C25H17NS.C24H22N2S.C22H14N2O/c1-4-13-28(14-5-1)31-19-10-22-34(25-31)37-40-38(35-23-11-20-32(26-35)29-15-6-2-7-16-29)42-39(41-37)36-24-12-21-33(27-36)30-17-8-3-9-18-30;1-31(2,3)27-20-18-25(19-21-27)29-22-32-30(33(29)28-12-8-5-9-13-28)26-16-14-24(15-17-26)23-10-6-4-7-11-23;1-3-9-21(10-4-1)23-13-7-15-25(19-23)27-17-18-28(30-29(27)31-33-32-30)26-16-8-14-24(20-26)22-11-5-2-6-12-22;1-3-9-21(10-4-1)23-13-7-15-25(17-23)27-19-30-28(20-29-27)26-16-8-14-24(18-26)22-11-5-2-6-12-22;1-2-7-18(8-3-1)19-13-15-21(16-14-19)25-26-17-24(27-25)23-12-6-10-20-9-4-5-11-22(20)23;1-24(2,3)21-15-13-20(14-16-21)23-26-25-22(27-23)19-11-9-18(10-12-19)17-7-5-4-6-8-17;1-3-11-17-15(7-1)9-5-13-19(17)21-23-24-22(25-21)20-14-6-10-16-8-2-4-12-18(16)20/h1-27H;4-22H,1-3H3;1-20H;1-20H;1-17H;4-16H,1-3H3;1-14H |
| InChIKey | SAZPFGZXKOZWBP-UHFFFAOYSA-N |
| XLogP | 53.39 |
| TPSA | 185.64 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 26 |
| Heavy Atoms | 217 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2847.67 |
| LogP ≤ 5 | 53.39 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 18 |