C265H264N16O4S8 — CID 162154011
5,8-bis(7-methyl-9,9-dioctylfluoren-2-yl)-2,3-diphenylquinoxaline;4,7-bis(5-methylfuran-2-yl)-2,1,3-benzothiadiazole;5,8-bis(5-methylfuran-2-yl)-2,3-diphenylquinoxaline;4,7-bis(4-methylphenyl)-2,1,3-benzothiadiazole;5,8-bis(5-methylthiophen-2-yl)-2,3-diphenylquinoxaline;5,7-bis(5-methylthiophen-2-yl)-2,3-diphenylthieno[3,4-b]pyrazine;5,8-dimethyl-2,3-diphenylquinoxaline;methane;7-methyl-4-(7-methyl-9,9-dioctylfluoren-2-yl)-2,1,3-benzothiadiazole (PubChem CID 162154011) has the molecular formula C265H264N16O4S8 and a molecular weight of 3993.67 g/mol. Its IUPAC name is 5,8-bis(7-methyl-9,9-dioctylfluoren-2-yl)-2,3-diphenylquinoxaline;4,7-bis(5-methylfuran-2-yl)-2,1,3-benzothiadiazole;5,8-bis(5-methylfuran-2-yl)-2,3-diphenylquinoxaline;4,7-bis(4-methylphenyl)-2,1,3-benzothiadiazole;5,8-bis(5-methylthiophen-2-yl)-2,3-diphenylquinoxaline;5,7-bis(5-methylthiophen-2-yl)-2,3-diphenylthieno[3,4-b]pyrazine;5,8-dimethyl-2,3-diphenylquinoxaline;methane;7-methyl-4-(7-methyl-9,9-dioctylfluoren-2-yl)-2,1,3-benzothiadiazole.
| Compound Name | 5,8-bis(7-methyl-9,9-dioctylfluoren-2-yl)-2,3-diphenylquinoxaline;4,7-bis(5-methylfuran-2-yl)-2,1,3-benzothiadiazole;5,8-bis(5-methylfuran-2-yl)-2,3-diphenylquinoxaline;4,7-bis(4-methylphenyl)-2,1,3-benzothiadiazole;5,8-bis(5-methylthiophen-2-yl)-2,3-diphenylquinoxaline;5,7-bis(5-methylthiophen-2-yl)-2,3-diphenylthieno[3,4-b]pyrazine;5,8-dimethyl-2,3-diphenylquinoxaline;methane;7-methyl-4-(7-methyl-9,9-dioctylfluoren-2-yl)-2,1,3-benzothiadiazole |
|---|---|
| PubChem CID | 162154011 |
| Molecular Formula | C265H264N16O4S8 |
| Molecular Weight | 3993.67 g/mol |
| Exact Mass | 3989.87 |
| IUPAC Name | 5,8-bis(7-methyl-9,9-dioctylfluoren-2-yl)-2,3-diphenylquinoxaline;4,7-bis(5-methylfuran-2-yl)-2,1,3-benzothiadiazole;5,8-bis(5-methylfuran-2-yl)-2,3-diphenylquinoxaline;4,7-bis(4-methylphenyl)-2,1,3-benzothiadiazole;5,8-bis(5-methylthiophen-2-yl)-2,3-diphenylquinoxaline;5,7-bis(5-methylthiophen-2-yl)-2,3-diphenylthieno[3,4-b]pyrazine;5,8-dimethyl-2,3-diphenylquinoxaline;methane;7-methyl-4-(7-methyl-9,9-dioctylfluoren-2-yl)-2,1,3-benzothiadiazole |
| SMILES | C.C.CCCCCCCCC1(CCCCCCCC)c2cc(C)ccc2-c2ccc(-c3ccc(-c4ccc5c(c4)C(CCCCCCCC)(CCCCCCCC)c4cc(C)ccc4-5)c4nc(-c5ccccc5)c(-c5ccccc5)nc34)cc21.CCCCCCCCC1(CCCCCCCC)c2cc(C)ccc2-c2ccc(-c3ccc(C)c4nsnc34)cc21.Cc1ccc(-c2ccc(-c3ccc(C)cc3)c3nsnc23)cc1.Cc1ccc(-c2ccc(-c3ccc(C)o3)c3nc(-c4ccccc4)c(-c4ccccc4)nc23)o1.Cc1ccc(-c2ccc(-c3ccc(C)o3)c3nsnc23)o1.Cc1ccc(-c2ccc(-c3ccc(C)s3)c3nc(-c4ccccc4)c(-c4ccccc4)nc23)s1.Cc1ccc(-c2sc(-c3ccc(C)s3)c3nc(-c4ccccc4)c(-c4ccccc4)nc23)s1.Cc1ccc(C)c2nc(-c3ccccc3)c(-c3ccccc3)nc12 |
| InChI | InChI=1S/C80H98N2.C37H48N2S.C30H22N2O2.C30H22N2S2.C28H20N2S3.C22H18N2.C20H16N2S.C16H12N2O2S.2CH4/c1-7-11-15-19-23-33-51-79(52-34-24-20-16-12-8-2)71-55-59(5)41-45-67(71)69-47-43-63(57-73(69)79)65-49-50-66(78-77(65)81-75(61-37-29-27-30-38-61)76(82-78)62-39-31-28-32-40-62)64-44-48-70-68-46-42-60(6)56-72(68)80(74(70)58-64,53-35-25-21-17-13-9-3)54-36-26-22-18-14-10-4;1-5-7-9-11-13-15-23-37(24-16-14-12-10-8-6-2)33-25-27(3)17-20-31(33)32-22-19-29(26-34(32)37)30-21-18-28(4)35-36(30)39-40-38-35;2*1-19-13-17-25(33-19)23-15-16-24(26-18-14-20(2)34-26)30-29(23)31-27(21-9-5-3-6-10-21)28(32-30)22-11-7-4-8-12-22;1-17-13-15-21(31-17)27-25-26(28(33-27)22-16-14-18(2)32-22)30-24(20-11-7-4-8-12-20)23(29-25)19-9-5-3-6-10-19;1-15-13-14-16(2)20-19(15)23-21(17-9-5-3-6-10-17)22(24-20)18-11-7-4-8-12-18;1-13-3-7-15(8-4-13)17-11-12-18(20-19(17)21-23-22-20)16-9-5-14(2)6-10-16;1-9-3-7-13(19-9)11-5-6-12(14-8-4-10(2)20-14)16-15(11)17-21-18-16;;/h27-32,37-50,55-58H,7-26,33-36,51-54H2,1-6H3;17-22,25-26H,5-16,23-24H2,1-4H3;2*3-18H,1-2H3;3-16H,1-2H3;3-14H,1-2H3;3-12H,1-2H3;3-8H,1-2H3;2*1H4 |
| InChIKey | ZLOSZRHOXWCBMQ-UHFFFAOYSA-N |
| XLogP | 79.75 |
| TPSA | 258.80 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 28 |
| Rotatable Bonds | 65 |
| Heavy Atoms | 293 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3993.67 |
| LogP ≤ 5 | 79.75 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 28 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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