C288H254S14 — CID 158205814
2-(9,10-dibutylanthracen-2-yl)-5-(5-naphthalen-1-ylthiophen-2-yl)thiophene;2-(9,10-dibutylanthracen-2-yl)-5-(5-naphthalen-2-ylthiophen-2-yl)thiophene;2-(9,10-dibutylanthracen-2-yl)-5-(5-phenylthiophen-2-yl)thiophene;2-(9,10-diethylanthracen-2-yl)-5-naphthalen-1-ylthiophene;2-(9,10-dipropylanthracen-2-yl)-5-(5-naphthalen-1-ylthiophen-2-yl)thiophene;2-(9,10-dipropylanthracen-2-yl)-5-(5-naphthalen-2-ylthiophen-2-yl)thiophene;2-(9,10-dipropylanthracen-2-yl)-5-phenylthiophene;2-(9,10-dipropylanthracen-2-yl)-5-(5-phenylthiophen-2-yl)thiophene (PubChem CID 158205814) has the molecular formula C288H254S14 and a molecular weight of 4164.14 g/mol. Its IUPAC name is 2-(9,10-dibutylanthracen-2-yl)-5-(5-naphthalen-1-ylthiophen-2-yl)thiophene;2-(9,10-dibutylanthracen-2-yl)-5-(5-naphthalen-2-ylthiophen-2-yl)thiophene;2-(9,10-dibutylanthracen-2-yl)-5-(5-phenylthiophen-2-yl)thiophene;2-(9,10-diethylanthracen-2-yl)-5-naphthalen-1-ylthiophene;2-(9,10-dipropylanthracen-2-yl)-5-(5-naphthalen-1-ylthiophen-2-yl)thiophene;2-(9,10-dipropylanthracen-2-yl)-5-(5-naphthalen-2-ylthiophen-2-yl)thiophene;2-(9,10-dipropylanthracen-2-yl)-5-phenylthiophene;2-(9,10-dipropylanthracen-2-yl)-5-(5-phenylthiophen-2-yl)thiophene.
| Compound Name | 2-(9,10-dibutylanthracen-2-yl)-5-(5-naphthalen-1-ylthiophen-2-yl)thiophene;2-(9,10-dibutylanthracen-2-yl)-5-(5-naphthalen-2-ylthiophen-2-yl)thiophene;2-(9,10-dibutylanthracen-2-yl)-5-(5-phenylthiophen-2-yl)thiophene;2-(9,10-diethylanthracen-2-yl)-5-naphthalen-1-ylthiophene;2-(9,10-dipropylanthracen-2-yl)-5-(5-naphthalen-1-ylthiophen-2-yl)thiophene;2-(9,10-dipropylanthracen-2-yl)-5-(5-naphthalen-2-ylthiophen-2-yl)thiophene;2-(9,10-dipropylanthracen-2-yl)-5-phenylthiophene;2-(9,10-dipropylanthracen-2-yl)-5-(5-phenylthiophen-2-yl)thiophene |
|---|---|
| PubChem CID | 158205814 |
| Molecular Formula | C288H254S14 |
| Molecular Weight | 4164.14 g/mol |
| Exact Mass | 4159.60 |
| IUPAC Name | 2-(9,10-dibutylanthracen-2-yl)-5-(5-naphthalen-1-ylthiophen-2-yl)thiophene;2-(9,10-dibutylanthracen-2-yl)-5-(5-naphthalen-2-ylthiophen-2-yl)thiophene;2-(9,10-dibutylanthracen-2-yl)-5-(5-phenylthiophen-2-yl)thiophene;2-(9,10-diethylanthracen-2-yl)-5-naphthalen-1-ylthiophene;2-(9,10-dipropylanthracen-2-yl)-5-(5-naphthalen-1-ylthiophen-2-yl)thiophene;2-(9,10-dipropylanthracen-2-yl)-5-(5-naphthalen-2-ylthiophen-2-yl)thiophene;2-(9,10-dipropylanthracen-2-yl)-5-phenylthiophene;2-(9,10-dipropylanthracen-2-yl)-5-(5-phenylthiophen-2-yl)thiophene |
| SMILES | CCCCc1c2ccccc2c(CCCC)c2cc(-c3ccc(-c4ccc(-c5ccc6ccccc6c5)s4)s3)ccc12.CCCCc1c2ccccc2c(CCCC)c2cc(-c3ccc(-c4ccc(-c5cccc6ccccc56)s4)s3)ccc12.CCCCc1c2ccccc2c(CCCC)c2cc(-c3ccc(-c4ccc(-c5ccccc5)s4)s3)ccc12.CCCc1c2ccccc2c(CCC)c2cc(-c3ccc(-c4ccc(-c5ccc6ccccc6c5)s4)s3)ccc12.CCCc1c2ccccc2c(CCC)c2cc(-c3ccc(-c4ccc(-c5cccc6ccccc56)s4)s3)ccc12.CCCc1c2ccccc2c(CCC)c2cc(-c3ccc(-c4ccc(-c5ccccc5)s4)s3)ccc12.CCCc1c2ccccc2c(CCC)c2cc(-c3ccc(-c4ccccc4)s3)ccc12.CCc1c2ccccc2c(CC)c2cc(-c3ccc(-c4cccc5ccccc45)s3)ccc12 |
| InChI | InChI=1S/2C40H36S2.2C38H32S2.C36H34S2.C34H30S2.C32H26S.C30H28S/c1-3-5-14-30-31-17-9-10-18-32(31)33(15-6-4-2)36-26-28(20-21-34(30)36)37-22-24-39(41-37)40-25-23-38(42-40)35-19-11-13-27-12-7-8-16-29(27)35;1-3-5-13-31-32-15-9-10-16-33(32)34(14-6-4-2)36-26-30(19-20-35(31)36)38-22-24-40(42-38)39-23-21-37(41-39)29-18-17-27-11-7-8-12-28(27)25-29;1-3-10-28-30-15-7-8-16-31(30)29(11-4-2)34-24-26(18-19-32(28)34)35-20-22-37(39-35)38-23-21-36(40-38)33-17-9-13-25-12-5-6-14-27(25)33;1-3-9-29-31-13-7-8-14-32(31)30(10-4-2)34-24-28(17-18-33(29)34)36-20-22-38(40-36)37-21-19-35(39-37)27-16-15-25-11-5-6-12-26(25)23-27;1-3-5-14-27-28-16-10-11-17-29(28)30(15-6-4-2)32-24-26(18-19-31(27)32)34-21-23-36(38-34)35-22-20-33(37-35)25-12-8-7-9-13-25;1-3-10-25-27-14-8-9-15-28(27)26(11-4-2)30-22-24(16-17-29(25)30)32-19-21-34(36-32)33-20-18-31(35-33)23-12-6-5-7-13-23;1-3-23-26-13-7-8-14-27(26)24(4-2)30-20-22(16-17-28(23)30)31-18-19-32(33-31)29-15-9-11-21-10-5-6-12-25(21)29;1-3-10-23-25-14-8-9-15-26(25)24(11-4-2)28-20-22(16-17-27(23)28)30-19-18-29(31-30)21-12-6-5-7-13-21/h7-13,16-26H,3-6,14-15H2,1-2H3;7-12,15-26H,3-6,13-14H2,1-2H3;5-9,12-24H,3-4,10-11H2,1-2H3;5-8,11-24H,3-4,9-10H2,1-2H3;7-13,16-24H,3-6,14-15H2,1-2H3;5-9,12-22H,3-4,10-11H2,1-2H3;5-20H,3-4H2,1-2H3;5-9,12-20H,3-4,10-11H2,1-2H3 |
| InChIKey | GBMGCHVIAUQWNX-UHFFFAOYSA-N |
| XLogP | 92.05 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 14 |
| Rotatable Bonds | 58 |
| Heavy Atoms | 302 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4164.14 |
| LogP ≤ 5 | 92.05 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 14 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'} |
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