C198H228OS11 — CID 160815399
2-(7,7-dihexyl-5-methylbenzo[g]fluoren-9-yl)-5-(5-methylthiophen-2-yl)thiophene;2-(9,9-dihexyl-7-methylfluoren-2-yl)-5-(5-methylthiophen-2-yl)thiophene;3-hexyl-2-(4-hexyl-5-methylthiophen-2-yl)-5-(7-methyl-9,9-diphenylfluoren-2-yl)thiophene;6-hexyl-3-methyl-8-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-6-pentylbenzo[c]chromene;2-methyl-5-[5-[5-(7-methyl-9,9-dioctylfluoren-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene (PubChem CID 160815399) has the molecular formula C198H228OS11 and a molecular weight of 2976.74 g/mol. Its IUPAC name is 2-(7,7-dihexyl-5-methylbenzo[g]fluoren-9-yl)-5-(5-methylthiophen-2-yl)thiophene;2-(9,9-dihexyl-7-methylfluoren-2-yl)-5-(5-methylthiophen-2-yl)thiophene;3-hexyl-2-(4-hexyl-5-methylthiophen-2-yl)-5-(7-methyl-9,9-diphenylfluoren-2-yl)thiophene;6-hexyl-3-methyl-8-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-6-pentylbenzo[c]chromene;2-methyl-5-[5-[5-(7-methyl-9,9-dioctylfluoren-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene.
| Compound Name | 2-(7,7-dihexyl-5-methylbenzo[g]fluoren-9-yl)-5-(5-methylthiophen-2-yl)thiophene;2-(9,9-dihexyl-7-methylfluoren-2-yl)-5-(5-methylthiophen-2-yl)thiophene;3-hexyl-2-(4-hexyl-5-methylthiophen-2-yl)-5-(7-methyl-9,9-diphenylfluoren-2-yl)thiophene;6-hexyl-3-methyl-8-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-6-pentylbenzo[c]chromene;2-methyl-5-[5-[5-(7-methyl-9,9-dioctylfluoren-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene |
|---|---|
| PubChem CID | 160815399 |
| Molecular Formula | C198H228OS11 |
| Molecular Weight | 2976.74 g/mol |
| Exact Mass | 2973.47 |
| IUPAC Name | 2-(7,7-dihexyl-5-methylbenzo[g]fluoren-9-yl)-5-(5-methylthiophen-2-yl)thiophene;2-(9,9-dihexyl-7-methylfluoren-2-yl)-5-(5-methylthiophen-2-yl)thiophene;3-hexyl-2-(4-hexyl-5-methylthiophen-2-yl)-5-(7-methyl-9,9-diphenylfluoren-2-yl)thiophene;6-hexyl-3-methyl-8-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-6-pentylbenzo[c]chromene;2-methyl-5-[5-[5-(7-methyl-9,9-dioctylfluoren-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene |
| SMILES | CCCCCCC1(CCCCC)Oc2cc(C)ccc2-c2ccc(-c3ccc(-c4ccc(C)s4)s3)cc21.CCCCCCC1(CCCCCC)c2cc(-c3ccc(-c4ccc(C)s4)s3)ccc2-c2c1cc(C)c1ccccc21.CCCCCCC1(CCCCCC)c2cc(C)ccc2-c2ccc(-c3ccc(-c4ccc(C)s4)s3)cc21.CCCCCCCCC1(CCCCCCCC)c2cc(C)ccc2-c2ccc(-c3ccc(-c4ccc(-c5ccc(C)s5)s4)s3)cc21.CCCCCCc1cc(-c2sc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc(C)ccc3-4)cc2CCCCCC)sc1C |
| InChI | InChI=1S/C47H50S2.C43H52S3.C39H44S2.C35H42S2.C34H40OS2/c1-5-7-9-13-19-35-31-45(48-34(35)4)46-37(20-14-10-8-6-2)32-44(49-46)36-26-28-41-40-27-25-33(3)29-42(40)47(43(41)30-36,38-21-15-11-16-22-38)39-23-17-12-18-24-39;1-5-7-9-11-13-15-27-43(28-16-14-12-10-8-6-2)36-29-31(3)17-20-34(36)35-21-19-33(30-37(35)43)38-23-24-41(45-38)42-26-25-40(46-42)39-22-18-32(4)44-39;1-5-7-9-13-23-39(24-14-10-8-6-2)33-26-29(35-21-22-37(41-35)36-20-17-28(4)40-36)18-19-32(33)38-31-16-12-11-15-30(31)27(3)25-34(38)39;1-5-7-9-11-21-35(22-12-10-8-6-2)30-23-25(3)13-16-28(30)29-17-15-27(24-31(29)35)32-19-20-34(37-32)33-18-14-26(4)36-33;1-5-7-9-11-21-34(20-10-8-6-2)29-23-26(31-18-19-33(37-31)32-17-13-25(4)36-32)14-16-27(29)28-15-12-24(3)22-30(28)35-34/h11-12,15-18,21-32H,5-10,13-14,19-20H2,1-4H3;17-26,29-30H,5-16,27-28H2,1-4H3;11-12,15-22,25-26H,5-10,13-14,23-24H2,1-4H3;13-20,23-24H,5-12,21-22H2,1-4H3;12-19,22-23H,5-11,20-21H2,1-4H3 |
| InChIKey | SEVJMWOXENKLPR-UHFFFAOYSA-N |
| XLogP | 66.28 |
| TPSA | 9.23 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 66 |
| Heavy Atoms | 210 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2976.74 |
| LogP ≤ 5 | 66.28 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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